data_19751 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19751 _Entry.PDB_ID 2MK4 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 19751 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLU N N 2 122.196 122.196 120.262 1.934 19751 2 1 1 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.646 -0.411 19751 3 1 1 . 1 1 2 2 GLU C C 2 175.712 175.712 175.754 -0.042 19751 4 1 1 . 1 1 2 2 GLU CA C 2 56.632 56.632 55.936 0.696 19751 5 1 1 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.388 -0.417 19751 6 1 1 . 1 1 2 2 GLU H H 2 8.617 8.617 8.235 0.382 19751 7 1 1 . 1 1 3 3 SER N N 3 116.623 116.623 116.640 -0.017 19751 8 1 1 . 1 1 3 3 SER HA H 3 4.597 4.597 4.670 -0.073 19751 9 1 1 . 1 1 3 3 SER C C 3 174.294 174.294 174.097 0.197 19751 10 1 1 . 1 1 3 3 SER CA C 3 58.386 58.386 58.045 0.341 19751 11 1 1 . 1 1 3 3 SER CB C 3 64.039 64.039 64.730 -0.691 19751 12 1 1 . 1 1 3 3 SER H H 3 8.305 8.305 8.472 -0.167 19751 13 1 1 . 1 1 4 4 VAL N N 4 121.759 121.759 127.375 -5.616 19751 14 1 1 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.266 0.043 19751 15 1 1 . 1 1 4 4 VAL C C 4 176.177 176.177 175.507 0.670 19751 16 1 1 . 1 1 4 4 VAL CA C 4 61.709 61.709 62.203 -0.494 19751 17 1 1 . 1 1 4 4 VAL CB C 4 33.355 33.355 31.670 1.685 19751 18 1 1 . 1 1 4 4 VAL H H 4 8.303 8.303 8.876 -0.573 19751 19 1 1 . 1 1 5 5 THR N N 5 118.335 118.335 124.345 -6.010 19751 20 1 1 . 1 1 5 5 THR HA H 5 4.592 4.592 4.439 0.153 19751 21 1 1 . 1 1 5 5 THR C C 5 173.579 173.579 173.835 -0.256 19751 22 1 1 . 1 1 5 5 THR CA C 5 62.022 62.022 62.397 -0.375 19751 23 1 1 . 1 1 5 5 THR CB C 5 70.047 70.047 67.918 2.129 19751 24 1 1 . 1 1 5 5 THR H H 5 8.319 8.319 8.604 -0.285 19751 25 1 1 . 1 1 6 6 MET N N 6 123.858 123.858 123.463 0.395 19751 26 1 1 . 1 1 6 6 MET CA C 6 57.260 57.260 54.924 2.336 19751 27 1 1 . 1 1 6 6 MET CB C 6 33.780 33.780 33.807 -0.028 19751 28 1 1 . 1 1 6 6 MET H H 6 8.035 8.035 7.771 0.264 19751 29 1 1 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.919 -0.422 19751 30 1 1 . 1 1 7 7 ASP CA C 7 55.150 55.150 53.880 1.270 19751 31 1 1 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.960 -1.696 19751 32 1 1 . 1 1 8 8 GLY N N 8 114.130 114.130 109.514 4.616 19751 33 1 1 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.963 0.650 19751 34 1 1 . 1 1 8 8 GLY H H 8 8.386 8.386 8.381 0.005 19751 35 1 1 . 1 1 9 9 LYS N N 9 120.803 120.803 120.488 0.315 19751 36 1 1 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.562 -0.218 19751 37 1 1 . 1 1 9 9 LYS H H 9 8.021 8.021 8.256 -0.235 19751 38 1 1 . 1 1 10 10 GLN N N 10 120.522 120.522 123.681 -3.159 19751 39 1 1 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.535 -0.068 19751 40 1 1 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.086 0.195 19751 41 1 1 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.254 0.156 19751 42 1 1 . 1 1 10 10 GLN H H 10 8.246 8.246 8.389 -0.143 19751 43 1 1 . 1 1 11 11 TYR N N 11 121.213 121.213 121.256 -0.043 19751 44 1 1 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.760 -0.461 19751 45 1 1 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.856 -0.907 19751 46 1 1 . 1 1 11 11 TYR CB C 11 43.274 43.274 39.269 4.005 19751 47 1 1 . 1 1 11 11 TYR H H 11 8.873 8.873 8.560 0.313 19751 48 1 1 . 1 1 12 12 SER N N 12 117.406 117.406 119.641 -2.235 19751 49 1 1 . 1 1 12 12 SER HA H 12 4.715 4.715 4.475 0.240 19751 50 1 1 . 1 1 12 12 SER CA C 12 57.374 57.374 57.255 0.119 19751 51 1 1 . 1 1 12 12 SER CB C 12 63.946 63.946 65.255 -1.309 19751 52 1 1 . 1 1 12 12 SER H H 12 9.047 9.047 7.798 1.249 19751 53 1 1 . 1 1 13 13 THR N N 13 112.091 112.091 116.544 -4.453 19751 54 1 1 . 1 1 13 13 THR HA H 13 4.929 4.929 4.500 0.429 19751 55 1 1 . 1 1 13 13 THR CA C 13 60.716 60.716 61.794 -1.078 19751 56 1 1 . 1 1 13 13 THR CB C 13 71.808 71.808 69.105 2.703 19751 57 1 1 . 1 1 13 13 THR H H 13 8.235 8.235 8.093 0.142 19751 58 1 1 . 1 1 14 14 ILE N N 14 120.891 120.891 123.756 -2.865 19751 59 1 1 . 1 1 14 14 ILE H H 14 9.108 9.108 7.985 1.123 19751 60 1 1 . 1 1 15 15 GLU N N 15 127.598 127.598 126.345 1.253 19751 61 1 1 . 1 1 15 15 GLU H H 15 8.300 8.300 8.375 -0.075 19751 62 1 1 . 1 1 16 16 VAL N N 16 126.224 126.224 119.942 6.282 19751 63 1 1 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.242 0.042 19751 64 1 1 . 1 1 16 16 VAL CA C 16 61.835 61.835 60.907 0.928 19751 65 1 1 . 1 1 16 16 VAL CB C 16 34.896 34.896 34.420 0.476 19751 66 1 1 . 1 1 16 16 VAL H H 16 9.320 9.320 8.060 1.260 19751 67 1 1 . 1 1 17 17 ASN N N 17 123.394 123.394 120.648 2.746 19751 68 1 1 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.505 0.659 19751 69 1 1 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.434 0.115 19751 70 1 1 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.638 -0.423 19751 71 1 1 . 1 1 17 17 ASN H H 17 9.310 9.310 8.943 0.367 19751 72 1 1 . 1 1 18 18 GLY H H 18 9.024 9.024 8.281 0.743 19751 73 1 1 . 1 1 19 19 GLN N N 19 119.994 119.994 120.224 -0.230 19751 74 1 1 . 1 1 19 19 GLN H H 19 7.990 7.990 7.870 0.120 19751 75 1 1 . 1 1 20 20 THR N N 20 117.472 117.472 116.878 0.594 19751 76 1 1 . 1 1 20 20 THR HA H 20 4.384 4.384 4.660 -0.276 19751 77 1 1 . 1 1 20 20 THR CA C 20 63.334 63.334 61.350 1.984 19751 78 1 1 . 1 1 20 20 THR CB C 20 69.401 69.401 70.224 -0.823 19751 79 1 1 . 1 1 20 20 THR H H 20 8.401 8.401 8.291 0.110 19751 80 1 1 . 1 1 21 21 TYR N N 21 126.847 126.847 124.189 2.658 19751 81 1 1 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.665 -0.503 19751 82 1 1 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.854 -0.367 19751 83 1 1 . 1 1 21 21 TYR CB C 21 43.330 43.330 40.143 3.187 19751 84 1 1 . 1 1 21 21 TYR H H 21 9.367 9.367 8.477 0.890 19751 85 1 1 . 1 1 22 22 LEU N N 22 118.537 118.537 127.006 -8.469 19751 86 1 1 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.671 -0.479 19751 87 1 1 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.411 2.511 19751 88 1 1 . 1 1 22 22 LEU CB C 22 43.212 43.212 43.081 0.131 19751 89 1 1 . 1 1 22 22 LEU H H 22 9.060 9.060 8.182 0.878 19751 90 1 1 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.438 -0.047 19751 91 1 1 . 1 1 24 24 PRO CA C 24 63.334 63.334 63.065 0.269 19751 92 1 1 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.086 0.054 19751 93 1 1 . 1 1 25 25 ASP N N 25 121.554 121.554 123.572 -2.018 19751 94 1 1 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.669 -0.077 19751 95 1 1 . 1 1 25 25 ASP CA C 25 54.308 54.308 54.326 -0.018 19751 96 1 1 . 1 1 25 25 ASP CB C 25 41.087 41.087 42.629 -1.542 19751 97 1 1 . 1 1 25 25 ASP H H 25 8.324 8.324 8.482 -0.158 19751 98 1 1 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.703 0.036 19751 99 1 1 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.218 -0.562 19751 100 1 1 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.000 0.132 19751 101 1 1 . 1 1 27 27 GLY N N 27 109.206 109.206 109.911 -0.705 19751 102 1 1 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.950 0.464 19751 103 1 1 . 1 1 27 27 GLY H H 27 8.494 8.494 8.007 0.487 19751 104 1 1 . 1 1 28 28 SER N N 28 116.238 116.238 112.614 3.624 19751 105 1 1 . 1 1 28 28 SER HA H 28 4.384 4.384 4.129 0.255 19751 106 1 1 . 1 1 28 28 SER CA C 28 60.226 60.226 58.691 1.535 19751 107 1 1 . 1 1 28 28 SER CB C 28 63.818 63.818 63.077 0.741 19751 108 1 1 . 1 1 28 28 SER H H 28 8.372 8.372 8.468 -0.096 19751 109 1 1 . 1 1 29 29 LYS N N 29 121.905 121.905 120.747 1.158 19751 110 1 1 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.094 0.237 19751 111 1 1 . 1 1 29 29 LYS CA C 29 56.353 56.353 58.167 -1.814 19751 112 1 1 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.008 0.339 19751 113 1 1 . 1 1 29 29 LYS H H 29 8.027 8.027 8.088 -0.061 19751 114 1 1 . 1 1 30 30 LYS N N 30 122.663 122.663 119.189 3.474 19751 115 1 1 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.436 -0.142 19751 116 1 1 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.868 0.346 19751 117 1 1 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.278 -0.107 19751 118 1 1 . 1 1 30 30 LYS H H 30 8.223 8.223 8.064 0.159 19751 119 1 1 . 1 1 31 31 ARG N N 31 123.469 123.469 121.557 1.912 19751 120 1 1 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.637 -0.282 19751 121 1 1 . 1 1 31 31 ARG CA C 31 56.295 56.295 56.697 -0.403 19751 122 1 1 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.020 0.834 19751 123 1 1 . 1 1 31 31 ARG H H 31 8.404 8.404 8.892 -0.488 19751 124 1 1 . 1 1 32 32 VAL N N 32 122.456 122.456 117.361 5.095 19751 125 1 1 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.607 -0.364 19751 126 1 1 . 1 1 32 32 VAL CA C 32 62.316 62.316 60.414 1.902 19751 127 1 1 . 1 1 32 32 VAL CB C 32 32.863 32.863 34.030 -1.167 19751 128 1 1 . 1 1 32 32 VAL H H 32 8.214 8.214 7.744 0.470 19751 129 1 1 . 1 1 33 33 ALA N N 33 127.685 127.685 125.876 1.809 19751 130 1 1 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.776 -0.474 19751 131 1 1 . 1 1 33 33 ALA CA C 33 52.617 52.617 52.039 0.578 19751 132 1 1 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.065 -0.757 19751 133 1 1 . 1 1 33 33 ALA H H 33 8.374 8.374 8.419 -0.045 19751 134 1 1 . 1 1 34 34 ARG N N 34 119.922 119.922 122.098 -2.176 19751 135 1 1 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.457 -0.134 19751 136 1 1 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.997 0.823 19751 137 1 1 . 1 1 34 34 ARG CB C 34 30.160 30.160 30.962 -0.802 19751 138 1 1 . 1 1 34 34 ARG H H 34 8.652 8.652 8.698 -0.046 19751 139 1 1 . 1 1 35 35 SER N N 35 116.881 116.881 118.761 -1.880 19751 140 1 1 . 1 1 35 35 SER HA H 35 4.543 4.543 4.816 -0.273 19751 141 1 1 . 1 1 35 35 SER CA C 35 58.440 58.440 57.660 0.779 19751 142 1 1 . 1 1 35 35 SER CB C 35 64.094 64.094 63.987 0.107 19751 143 1 1 . 1 1 35 35 SER H H 35 8.359 8.359 8.689 -0.330 19751 144 1 1 . 1 1 36 36 LEU N N 36 124.595 124.595 127.052 -2.457 19751 145 1 1 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.613 -0.240 19751 146 1 1 . 1 1 36 36 LEU CA C 36 55.594 55.594 56.114 -0.520 19751 147 1 1 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.919 -1.641 19751 148 1 1 . 1 1 36 36 LEU H H 36 8.546 8.546 7.889 0.657 19751 149 1 1 . 1 1 37 37 ASP N N 37 119.422 119.422 125.366 -5.944 19751 150 1 1 . 1 1 37 37 ASP HA H 37 4.592 4.592 4.821 -0.229 19751 151 1 1 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.865 0.443 19751 152 1 1 . 1 1 37 37 ASP CB C 37 41.182 41.182 40.495 0.687 19751 153 1 1 . 1 1 37 37 ASP H H 37 8.186 8.186 8.618 -0.432 19751 154 1 1 . 1 1 38 38 SER N N 38 116.413 116.413 118.744 -2.331 19751 155 1 1 . 1 1 38 38 SER HA H 38 4.450 4.450 4.722 -0.272 19751 156 1 1 . 1 1 38 38 SER CA C 38 58.499 58.499 58.155 0.344 19751 157 1 1 . 1 1 38 38 SER CB C 38 63.818 63.818 63.598 0.220 19751 158 1 1 . 1 1 38 38 SER H H 38 8.177 8.177 8.564 -0.387 19751 159 1 1 . 1 1 39 39 LYS N N 39 123.095 123.095 124.905 -1.810 19751 160 1 1 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.408 -0.071 19751 161 1 1 . 1 1 39 39 LYS CA C 39 56.679 56.679 56.290 0.389 19751 162 1 1 . 1 1 39 39 LYS CB C 39 32.232 32.232 32.947 -0.715 19751 163 1 1 . 1 1 39 39 LYS H H 39 8.379 8.379 8.674 -0.295 19751 164 1 1 . 1 1 40 40 VAL N N 40 122.475 122.475 121.499 0.976 19751 165 1 1 . 1 1 40 40 VAL HA H 40 4.388 4.388 3.934 0.454 19751 166 1 1 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.602 -1.441 19751 167 1 1 . 1 1 40 40 VAL CB C 40 32.615 32.615 31.223 1.392 19751 168 1 1 . 1 1 40 40 VAL H H 40 8.069 8.069 8.111 -0.042 19751 169 1 1 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.430 -0.009 19751 170 1 1 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.246 -0.488 19751 171 1 1 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.582 1.725 19751 172 1 1 . 1 1 42 42 GLN N N 42 121.230 121.230 121.822 -0.592 19751 173 1 1 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.590 -0.311 19751 174 1 1 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.771 0.257 19751 175 1 1 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.976 -1.257 19751 176 1 1 . 1 1 42 42 GLN H H 42 8.482 8.482 8.127 0.355 19751 177 1 1 . 1 1 43 43 GLN N N 43 121.831 121.831 123.144 -1.313 19751 178 1 1 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.621 -0.232 19751 179 1 1 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.341 0.583 19751 180 1 1 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.951 -1.422 19751 181 1 1 . 1 1 43 43 GLN H H 43 8.506 8.506 8.436 0.070 19751 182 1 1 . 1 1 44 44 THR N N 44 116.251 116.251 114.227 2.024 19751 183 1 1 . 1 1 44 44 THR HA H 44 4.302 4.302 4.646 -0.344 19751 184 1 1 . 1 1 44 44 THR CA C 44 61.922 61.922 62.080 -0.158 19751 185 1 1 . 1 1 44 44 THR CB C 44 69.811 69.811 68.769 1.042 19751 186 1 1 . 1 1 44 44 THR H H 44 8.231 8.231 8.474 -0.243 19751 187 1 1 . 1 1 45 45 LEU N N 45 125.046 125.046 127.419 -2.373 19751 188 1 1 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.339 0.159 19751 189 1 1 . 1 1 45 45 LEU CA C 45 55.107 55.107 55.820 -0.713 19751 190 1 1 . 1 1 45 45 LEU CB C 45 42.812 42.812 42.582 0.230 19751 191 1 1 . 1 1 45 45 LEU H H 45 8.257 8.257 8.845 -0.588 19751 192 1 1 . 1 1 46 46 ARG N N 46 120.522 120.522 115.853 4.669 19751 193 1 1 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.414 -0.181 19751 194 1 1 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.847 0.617 19751 195 1 1 . 1 1 46 46 ARG CB C 46 29.971 29.971 31.367 -1.396 19751 196 1 1 . 1 1 46 46 ARG H H 46 8.007 8.007 7.799 0.208 19751 197 1 1 . 1 1 47 47 ARG N N 47 121.010 121.010 122.341 -1.331 19751 198 1 1 . 1 1 47 47 ARG H H 47 8.324 8.324 8.507 -0.183 19751 199 1 1 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.425 0.915 19751 200 1 1 . 1 1 49 49 ASP N N 49 120.513 120.513 123.946 -3.433 19751 201 1 1 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.999 -0.380 19751 202 1 1 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.670 0.660 19751 203 1 1 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.601 -1.438 19751 204 1 1 . 1 1 49 49 ASP H H 49 8.225 8.225 8.242 -0.017 19751 205 1 1 . 1 1 50 50 VAL N N 50 119.718 119.718 118.785 0.933 19751 206 1 1 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.512 -0.440 19751 207 1 1 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.525 0.877 19751 208 1 1 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.411 -0.617 19751 209 1 1 . 1 1 50 50 VAL H H 50 8.024 8.024 8.320 -0.296 19751 210 1 1 . 1 1 51 51 LEU N N 51 125.249 125.249 125.784 -0.535 19751 211 1 1 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.577 -0.231 19751 212 1 1 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.283 0.086 19751 213 1 1 . 1 1 51 51 LEU CB C 51 42.379 42.379 42.263 0.116 19751 214 1 1 . 1 1 51 51 LEU H H 51 8.305 8.305 8.240 0.065 19751 215 1 1 . 1 1 52 52 MET HA H 52 4.458 4.458 4.171 0.287 19751 216 1 1 . 1 1 52 52 MET CA C 52 55.417 55.417 55.620 -0.203 19751 217 1 1 . 1 1 52 52 MET CB C 52 32.264 32.264 32.093 0.171 19751 218 1 1 . 1 1 53 53 GLN N N 53 121.447 121.447 118.758 2.689 19751 219 1 1 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.545 -0.238 19751 220 1 1 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.152 1.062 19751 221 1 1 . 1 1 53 53 GLN CB C 53 29.697 29.697 29.229 0.468 19751 222 1 1 . 1 1 53 53 GLN H H 53 8.373 8.373 8.258 0.115 19751 223 1 1 . 1 1 54 54 GLY N N 54 110.484 110.484 112.244 -1.760 19751 224 1 1 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.640 -0.390 19751 225 1 1 . 1 1 54 54 GLY H H 54 8.456 8.456 8.676 -0.220 19751 226 1 1 . 1 1 55 55 ALA N N 55 123.673 123.673 123.100 0.573 19751 227 1 1 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.057 0.250 19751 228 1 1 . 1 1 55 55 ALA C C 55 177.397 177.397 177.078 0.319 19751 229 1 1 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.452 0.165 19751 230 1 1 . 1 1 55 55 ALA CB C 55 19.308 19.308 18.150 1.158 19751 231 1 1 . 1 1 55 55 ALA H H 55 8.113 8.113 8.402 -0.289 19751 232 1 1 . 1 1 56 56 ALA N N 56 123.295 123.295 121.346 1.949 19751 233 1 1 . 1 1 56 56 ALA HA H 56 4.303 4.303 4.560 -0.257 19751 234 1 1 . 1 1 56 56 ALA C C 56 177.446 177.446 175.968 1.478 19751 235 1 1 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.758 0.674 19751 236 1 1 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.016 -0.708 19751 237 1 1 . 1 1 56 56 ALA H H 56 8.297 8.297 7.972 0.325 19751 238 1 1 . 1 1 57 57 SER N N 57 116.534 116.534 115.802 0.732 19751 239 1 1 . 1 1 57 57 SER HA H 57 4.737 4.737 4.957 -0.220 19751 240 1 1 . 1 1 57 57 SER CA C 57 56.332 56.332 57.383 -1.051 19751 241 1 1 . 1 1 57 57 SER CB C 57 63.567 63.567 64.465 -0.898 19751 242 1 1 . 1 1 57 57 SER H H 57 8.258 8.258 8.218 0.040 19751 243 1 1 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.810 -0.408 19751 244 1 1 . 1 1 58 58 PRO C C 58 176.874 176.874 175.197 1.677 19751 245 1 1 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.074 0.283 19751 246 1 1 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.673 -0.638 19751 247 1 1 . 1 1 59 59 GLU N N 59 120.545 120.545 118.015 2.530 19751 248 1 1 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.410 -0.174 19751 249 1 1 . 1 1 59 59 GLU C C 59 176.383 176.383 173.974 2.409 19751 250 1 1 . 1 1 59 59 GLU CA C 59 56.575 56.575 56.266 0.309 19751 251 1 1 . 1 1 59 59 GLU CB C 59 30.103 30.103 30.924 -0.820 19751 252 1 1 . 1 1 59 59 GLU H H 59 8.556 8.556 8.326 0.230 19751 253 1 1 . 1 1 60 60 LEU N N 60 122.946 122.946 122.252 0.694 19751 254 1 1 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.662 -0.218 19751 255 1 1 . 1 1 60 60 LEU C C 60 177.201 177.201 174.880 2.321 19751 256 1 1 . 1 1 60 60 LEU CA C 60 55.120 55.120 55.557 -0.437 19751 257 1 1 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.204 -0.916 19751 258 1 1 . 1 1 60 60 LEU H H 60 8.205 8.205 8.566 -0.361 19751 259 1 1 . 1 1 61 61 THR N N 61 115.168 115.168 117.546 -2.378 19751 260 1 1 . 1 1 61 61 THR HA H 61 4.380 4.380 4.592 -0.212 19751 261 1 1 . 1 1 61 61 THR C C 61 174.201 174.201 173.159 1.042 19751 262 1 1 . 1 1 61 61 THR CA C 61 61.792 61.792 61.476 0.316 19751 263 1 1 . 1 1 61 61 THR CB C 61 69.770 69.770 69.559 0.211 19751 264 1 1 . 1 1 61 61 THR H H 61 8.149 8.149 8.132 0.017 19751 265 1 1 . 1 1 62 62 VAL N N 62 121.650 121.650 126.095 -4.445 19751 266 1 1 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.338 -0.019 19751 267 1 1 . 1 1 62 62 VAL C C 62 175.921 175.921 173.296 2.625 19751 268 1 1 . 1 1 62 62 VAL CA C 62 61.709 61.709 60.976 0.733 19751 269 1 1 . 1 1 62 62 VAL CB C 62 33.355 33.355 33.704 -0.349 19751 270 1 1 . 1 1 62 62 VAL H H 62 8.091 8.091 8.398 -0.307 19751 271 1 1 . 1 1 63 63 SER N N 63 120.076 120.076 118.862 1.214 19751 272 1 1 . 1 1 63 63 SER HA H 63 4.542 4.542 4.740 -0.198 19751 273 1 1 . 1 1 63 63 SER C C 63 174.254 174.254 172.994 1.260 19751 274 1 1 . 1 1 63 63 SER CA C 63 58.375 58.375 57.923 0.452 19751 275 1 1 . 1 1 63 63 SER CB C 63 64.196 64.196 64.999 -0.803 19751 276 1 1 . 1 1 63 63 SER H H 63 8.524 8.524 8.244 0.280 19751 277 1 1 . 1 1 64 64 GLY N N 64 109.912 109.912 111.466 -1.554 19751 278 1 1 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.639 -0.255 19751 279 1 1 . 1 1 64 64 GLY H H 64 8.255 8.255 8.563 -0.308 19751 280 1 1 . 1 1 65 65 THR N N 65 114.200 114.200 115.933 -1.733 19751 281 1 1 . 1 1 65 65 THR HA H 65 4.929 4.929 5.211 -0.282 19751 282 1 1 . 1 1 65 65 THR CA C 65 60.826 60.826 61.380 -0.555 19751 283 1 1 . 1 1 65 65 THR CB C 65 71.805 71.805 72.625 -0.820 19751 284 1 1 . 1 1 65 65 THR H H 65 8.468 8.468 8.352 0.116 19751 285 1 1 . 1 1 66 66 LEU N N 66 122.673 122.673 122.977 -0.304 19751 286 1 1 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.830 0.091 19751 287 1 1 . 1 1 66 66 LEU C C 66 174.364 174.364 174.448 -0.084 19751 288 1 1 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.465 -1.055 19751 289 1 1 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.017 -1.567 19751 290 1 1 . 1 1 66 66 LEU H H 66 9.054 9.054 8.717 0.337 19751 291 1 1 . 1 1 67 67 LEU N N 67 124.219 124.219 126.810 -2.591 19751 292 1 1 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.844 0.364 19751 293 1 1 . 1 1 67 67 LEU C C 67 177.107 177.107 175.826 1.281 19751 294 1 1 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.219 -0.446 19751 295 1 1 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.157 1.048 19751 296 1 1 . 1 1 67 67 LEU H H 67 8.927 8.927 9.156 -0.229 19751 297 1 1 . 1 1 68 68 VAL N N 68 121.113 121.113 125.325 -4.212 19751 298 1 1 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.346 0.510 19751 299 1 1 . 1 1 68 68 VAL C C 68 174.079 174.079 174.438 -0.359 19751 300 1 1 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.093 -0.235 19751 301 1 1 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.385 0.630 19751 302 1 1 . 1 1 68 68 VAL H H 68 9.345 9.345 8.846 0.499 19751 303 1 1 . 1 1 69 69 GLU N N 69 127.682 127.682 130.897 -3.215 19751 304 1 1 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.553 0.346 19751 305 1 1 . 1 1 69 69 GLU C C 69 173.485 173.485 174.879 -1.394 19751 306 1 1 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.685 -1.338 19751 307 1 1 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.814 0.157 19751 308 1 1 . 1 1 69 69 GLU H H 69 8.110 8.110 8.642 -0.532 19751 309 1 1 . 1 1 70 70 ALA N N 70 130.042 130.042 127.959 2.083 19751 310 1 1 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.542 0.022 19751 311 1 1 . 1 1 70 70 ALA C C 70 174.853 174.853 175.806 -0.953 19751 312 1 1 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.469 0.235 19751 313 1 1 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.293 0.138 19751 314 1 1 . 1 1 70 70 ALA H H 70 7.991 7.991 7.767 0.224 19751 315 1 1 . 1 1 71 71 ASP N N 71 117.021 117.021 120.206 -3.185 19751 316 1 1 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.747 -0.167 19751 317 1 1 . 1 1 71 71 ASP C C 71 175.160 175.160 176.716 -1.556 19751 318 1 1 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.867 -0.824 19751 319 1 1 . 1 1 71 71 ASP CB C 71 40.922 40.922 43.170 -2.248 19751 320 1 1 . 1 1 71 71 ASP H H 71 8.025 8.025 8.492 -0.467 19751 321 1 1 . 1 1 72 72 ASP N N 72 119.867 119.867 121.111 -1.244 19751 322 1 1 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.504 0.619 19751 323 1 1 . 1 1 72 72 ASP C C 72 177.598 177.598 177.159 0.439 19751 324 1 1 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.065 1.393 19751 325 1 1 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.781 -0.791 19751 326 1 1 . 1 1 72 72 ASP H H 72 8.644 8.644 8.585 0.059 19751 327 1 1 . 1 1 73 73 ALA N N 73 120.735 120.735 120.159 0.576 19751 328 1 1 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.039 -0.087 19751 329 1 1 . 1 1 73 73 ALA C C 73 181.711 181.711 180.125 1.586 19751 330 1 1 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.778 0.579 19751 331 1 1 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.241 -0.420 19751 332 1 1 . 1 1 73 73 ALA H H 73 8.212 8.212 8.349 -0.137 19751 333 1 1 . 1 1 74 74 SER N N 74 116.971 116.971 114.379 2.592 19751 334 1 1 . 1 1 74 74 SER HA H 74 4.207 4.207 4.204 0.003 19751 335 1 1 . 1 1 74 74 SER C C 74 176.918 176.918 176.187 0.731 19751 336 1 1 . 1 1 74 74 SER CA C 74 61.632 61.632 60.242 1.390 19751 337 1 1 . 1 1 74 74 SER CB C 74 62.233 62.233 63.289 -1.056 19751 338 1 1 . 1 1 74 74 SER H H 74 8.376 8.376 7.499 0.877 19751 339 1 1 . 1 1 75 75 ALA N N 75 124.844 124.844 125.515 -0.671 19751 340 1 1 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.794 0.028 19751 341 1 1 . 1 1 75 75 ALA C C 75 179.160 179.160 178.969 0.191 19751 342 1 1 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.256 0.045 19751 343 1 1 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.747 0.765 19751 344 1 1 . 1 1 75 75 ALA H H 75 9.121 9.121 7.764 1.357 19751 345 1 1 . 1 1 76 76 LYS N N 76 117.821 117.821 117.893 -0.072 19751 346 1 1 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.974 -0.169 19751 347 1 1 . 1 1 76 76 LYS C C 76 179.175 179.175 178.596 0.579 19751 348 1 1 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.321 0.817 19751 349 1 1 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.802 0.560 19751 350 1 1 . 1 1 76 76 LYS H H 76 8.306 8.306 7.835 0.471 19751 351 1 1 . 1 1 77 77 ALA N N 77 122.703 122.703 120.967 1.736 19751 352 1 1 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.138 0.052 19751 353 1 1 . 1 1 77 77 ALA C C 77 180.868 180.868 179.628 1.240 19751 354 1 1 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.591 0.561 19751 355 1 1 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.278 -0.446 19751 356 1 1 . 1 1 77 77 ALA H H 77 7.584 7.584 7.592 -0.008 19751 357 1 1 . 1 1 78 78 LEU N N 78 120.574 120.574 118.790 1.784 19751 358 1 1 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.093 -0.057 19751 359 1 1 . 1 1 78 78 LEU C C 78 178.870 178.870 179.021 -0.151 19751 360 1 1 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.804 1.084 19751 361 1 1 . 1 1 78 78 LEU CB C 78 42.479 42.479 42.023 0.456 19751 362 1 1 . 1 1 78 78 LEU H H 78 8.338 8.338 7.747 0.591 19751 363 1 1 . 1 1 79 79 ALA N N 79 121.156 121.156 121.865 -0.709 19751 364 1 1 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.113 -0.218 19751 365 1 1 . 1 1 79 79 ALA C C 79 179.393 179.393 178.961 0.432 19751 366 1 1 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.296 0.464 19751 367 1 1 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.457 -1.202 19751 368 1 1 . 1 1 79 79 ALA H H 79 8.491 8.491 8.701 -0.210 19751 369 1 1 . 1 1 80 80 THR N N 80 114.097 114.097 112.224 1.873 19751 370 1 1 . 1 1 80 80 THR HA H 80 4.048 4.048 4.193 -0.145 19751 371 1 1 . 1 1 80 80 THR C C 80 177.034 177.034 176.460 0.574 19751 372 1 1 . 1 1 80 80 THR CA C 80 66.139 66.139 65.470 0.669 19751 373 1 1 . 1 1 80 80 THR CB C 80 69.243 69.243 69.147 0.096 19751 374 1 1 . 1 1 80 80 THR H H 80 8.111 8.111 7.713 0.398 19751 375 1 1 . 1 1 81 81 ARG N N 81 121.321 121.321 120.262 1.059 19751 376 1 1 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.152 -0.209 19751 377 1 1 . 1 1 81 81 ARG C C 81 177.546 177.546 178.045 -0.499 19751 378 1 1 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.459 0.582 19751 379 1 1 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.373 0.350 19751 380 1 1 . 1 1 81 81 ARG H H 81 7.893 7.893 7.585 0.308 19751 381 1 1 . 1 1 82 82 HIS N N 82 113.320 113.320 115.042 -1.722 19751 382 1 1 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.499 0.210 19751 383 1 1 . 1 1 82 82 HIS C C 82 174.918 174.918 175.922 -1.004 19751 384 1 1 . 1 1 82 82 HIS CA C 82 56.162 56.162 56.531 -0.368 19751 385 1 1 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.370 1.138 19751 386 1 1 . 1 1 82 82 HIS H H 82 7.684 7.684 7.892 -0.208 19751 387 1 1 . 1 1 83 83 GLY N N 83 109.763 109.763 106.167 3.596 19751 388 1 1 . 1 1 83 83 GLY C C 83 174.866 174.866 174.141 0.725 19751 389 1 1 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.913 2.365 19751 390 1 1 . 1 1 83 83 GLY H H 83 7.707 7.707 7.730 -0.023 19751 391 1 1 . 1 1 84 84 LEU N N 84 119.225 119.225 119.268 -0.043 19751 392 1 1 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.483 0.351 19751 393 1 1 . 1 1 84 84 LEU C C 84 174.880 174.880 176.316 -1.436 19751 394 1 1 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.115 -1.246 19751 395 1 1 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.672 2.411 19751 396 1 1 . 1 1 84 84 LEU H H 84 8.672 8.672 7.300 1.372 19751 397 1 1 . 1 1 85 85 ASN N N 85 117.042 117.042 116.935 0.107 19751 398 1 1 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.889 0.279 19751 399 1 1 . 1 1 85 85 ASN C C 85 175.212 175.212 174.022 1.190 19751 400 1 1 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.421 -0.563 19751 401 1 1 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.757 0.125 19751 402 1 1 . 1 1 85 85 ASN H H 85 8.955 8.955 8.441 0.514 19751 403 1 1 . 1 1 86 86 PHE N N 86 126.957 126.957 127.047 -0.090 19751 404 1 1 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.485 -0.044 19751 405 1 1 . 1 1 86 86 PHE C C 86 173.744 173.744 174.907 -1.163 19751 406 1 1 . 1 1 86 86 PHE CA C 86 58.606 58.606 58.053 0.553 19751 407 1 1 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.801 0.263 19751 408 1 1 . 1 1 86 86 PHE H H 86 9.221 9.221 8.974 0.247 19751 409 1 1 . 1 1 87 87 LYS N N 87 129.305 129.305 127.235 2.070 19751 410 1 1 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.197 0.154 19751 411 1 1 . 1 1 87 87 LYS C C 87 175.203 175.203 175.722 -0.519 19751 412 1 1 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.882 -0.185 19751 413 1 1 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.747 -0.173 19751 414 1 1 . 1 1 87 87 LYS H H 87 8.397 8.397 8.576 -0.179 19751 415 1 1 . 1 1 88 88 GLN N N 88 110.785 110.785 114.916 -4.131 19751 416 1 1 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.311 0.080 19751 417 1 1 . 1 1 88 88 GLN C C 88 185.308 185.308 173.714 11.594 19751 418 1 1 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.800 -0.047 19751 419 1 1 . 1 1 88 88 GLN H H 88 6.855 6.855 7.752 -0.897 19751 420 1 1 . 1 1 89 89 SER N N 89 113.927 113.927 115.020 -1.093 19751 421 1 1 . 1 1 89 89 SER HA H 89 5.298 5.298 5.524 -0.226 19751 422 1 1 . 1 1 89 89 SER C C 89 173.757 173.757 174.040 -0.283 19751 423 1 1 . 1 1 89 89 SER CA C 89 56.776 56.776 56.745 0.031 19751 424 1 1 . 1 1 89 89 SER CB C 89 67.417 67.417 65.865 1.552 19751 425 1 1 . 1 1 89 89 SER H H 89 8.718 8.718 8.454 0.264 19751 426 1 1 . 1 1 90 90 SER N N 90 114.246 114.246 116.731 -2.485 19751 427 1 1 . 1 1 90 90 SER HA H 90 4.597 4.597 4.713 -0.116 19751 428 1 1 . 1 1 90 90 SER CA C 90 58.356 58.356 57.245 1.111 19751 429 1 1 . 1 1 90 90 SER CB C 90 63.952 63.952 63.319 0.633 19751 430 1 1 . 1 1 90 90 SER H H 90 8.479 8.479 8.720 -0.241 19751 431 1 1 . 1 1 91 91 GLY N N 91 116.101 116.101 109.254 6.847 19751 432 1 1 . 1 1 91 91 GLY C C 91 174.853 174.853 175.062 -0.209 19751 433 1 1 . 1 1 91 91 GLY CA C 91 47.155 47.155 44.785 2.370 19751 434 1 1 . 1 1 91 91 GLY H H 91 8.490 8.490 8.331 0.159 19751 435 1 1 . 1 1 92 92 GLY N N 92 107.199 107.199 108.205 -1.006 19751 436 1 1 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.062 -0.396 19751 437 1 1 . 1 1 92 92 GLY H H 92 8.914 8.914 8.276 0.638 19751 438 1 1 . 1 1 93 93 ILE N N 93 118.958 118.958 115.004 3.954 19751 439 1 1 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.890 -0.152 19751 440 1 1 . 1 1 93 93 ILE C C 93 175.050 175.050 173.216 1.834 19751 441 1 1 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.767 -1.232 19751 442 1 1 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.528 -3.419 19751 443 1 1 . 1 1 93 93 ILE H H 93 7.540 7.540 7.516 0.024 19751 444 1 1 . 1 1 94 94 ALA N N 94 131.032 131.032 127.614 3.418 19751 445 1 1 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.261 -0.533 19751 446 1 1 . 1 1 94 94 ALA C C 94 174.512 174.512 177.314 -2.802 19751 447 1 1 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.047 0.391 19751 448 1 1 . 1 1 94 94 ALA CB C 94 21.812 21.812 20.352 1.460 19751 449 1 1 . 1 1 94 94 ALA H H 94 9.561 9.561 9.124 0.437 19751 450 1 1 . 1 1 95 95 LEU N N 95 123.066 123.066 124.555 -1.489 19751 451 1 1 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.887 0.076 19751 452 1 1 . 1 1 95 95 LEU C C 95 174.922 174.922 175.961 -1.039 19751 453 1 1 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.553 -0.038 19751 454 1 1 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.649 2.556 19751 455 1 1 . 1 1 95 95 LEU H H 95 8.641 8.641 8.491 0.150 19751 456 1 1 . 1 1 96 96 LEU N N 96 124.843 124.843 124.589 0.254 19751 457 1 1 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.003 0.168 19751 458 1 1 . 1 1 96 96 LEU C C 96 175.059 175.059 177.114 -2.055 19751 459 1 1 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.561 -0.922 19751 460 1 1 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.129 1.140 19751 461 1 1 . 1 1 96 96 LEU H H 96 9.235 9.235 8.890 0.345 19751 462 1 1 . 1 1 97 97 GLU N N 97 121.306 121.306 120.664 0.642 19751 463 1 1 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.629 0.230 19751 464 1 1 . 1 1 97 97 GLU C C 97 175.343 175.343 175.578 -0.235 19751 465 1 1 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.638 0.453 19751 466 1 1 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.723 2.692 19751 467 1 1 . 1 1 97 97 GLU H H 97 9.113 9.113 8.481 0.632 19751 468 1 1 . 1 1 98 98 ALA N N 98 126.658 126.658 127.520 -0.862 19751 469 1 1 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.380 0.394 19751 470 1 1 . 1 1 98 98 ALA C C 98 176.880 176.880 176.922 -0.042 19751 471 1 1 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.534 -0.939 19751 472 1 1 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.741 1.642 19751 473 1 1 . 1 1 98 98 ALA H H 98 8.731 8.731 8.512 0.219 19751 474 1 1 . 1 1 99 99 LYS N N 99 121.674 121.674 122.564 -0.890 19751 475 1 1 . 1 1 99 99 LYS H H 99 8.636 8.636 8.288 0.348 19751 476 1 1 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.199 0.263 19751 477 1 1 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.573 -0.085 19751 478 1 1 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.908 1.278 19751 479 1 1 . 1 1 101 101 GLY N N 101 110.695 110.695 114.760 -4.065 19751 480 1 1 . 1 1 101 101 GLY C C 101 174.676 174.676 174.419 0.257 19751 481 1 1 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.869 0.314 19751 482 1 1 . 1 1 101 101 GLY H H 101 8.709 8.709 8.320 0.389 19751 483 1 1 . 1 1 102 102 THR N N 102 116.771 116.771 118.088 -1.317 19751 484 1 1 . 1 1 102 102 THR HA H 102 4.134 4.134 4.338 -0.204 19751 485 1 1 . 1 1 102 102 THR CA C 102 62.998 62.998 62.285 0.713 19751 486 1 1 . 1 1 102 102 THR CB C 102 69.736 69.736 69.537 0.199 19751 487 1 1 . 1 1 102 102 THR H H 102 7.652 7.652 7.580 0.072 19751 488 1 1 . 1 1 103 103 ASP N N 103 125.950 125.950 127.928 -1.978 19751 489 1 1 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.748 -0.044 19751 490 1 1 . 1 1 103 103 ASP C C 103 175.907 175.907 177.124 -1.217 19751 491 1 1 . 1 1 103 103 ASP CA C 103 52.747 52.747 54.291 -1.544 19751 492 1 1 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.306 0.681 19751 493 1 1 . 1 1 103 103 ASP H H 103 8.849 8.849 8.785 0.064 19751 494 1 1 . 1 1 104 104 LEU N N 104 127.195 127.195 119.229 7.966 19751 495 1 1 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.879 -0.008 19751 496 1 1 . 1 1 104 104 LEU C C 104 178.528 178.528 177.834 0.694 19751 497 1 1 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.195 -0.767 19751 498 1 1 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.426 0.756 19751 499 1 1 . 1 1 104 104 LEU H H 104 8.464 8.464 7.495 0.969 19751 500 1 1 . 1 1 105 105 ASN N N 105 116.748 116.748 117.135 -0.387 19751 501 1 1 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.354 -0.017 19751 502 1 1 . 1 1 105 105 ASN C C 105 177.999 177.999 177.028 0.971 19751 503 1 1 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.613 -0.071 19751 504 1 1 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.611 0.614 19751 505 1 1 . 1 1 105 105 ASN H H 105 8.225 8.225 8.391 -0.166 19751 506 1 1 . 1 1 106 106 ALA N N 106 123.704 123.704 121.663 2.041 19751 507 1 1 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.188 -0.102 19751 508 1 1 . 1 1 106 106 ALA C C 106 181.021 181.021 178.790 2.231 19751 509 1 1 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.038 0.846 19751 510 1 1 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.660 -0.677 19751 511 1 1 . 1 1 106 106 ALA H H 106 7.810 7.810 7.514 0.296 19751 512 1 1 . 1 1 107 107 ILE N N 107 118.676 118.676 119.252 -0.576 19751 513 1 1 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.513 0.141 19751 514 1 1 . 1 1 107 107 ILE C C 107 177.324 177.324 178.181 -0.857 19751 515 1 1 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.763 -0.928 19751 516 1 1 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.467 0.140 19751 517 1 1 . 1 1 107 107 ILE H H 107 7.582 7.582 7.417 0.165 19751 518 1 1 . 1 1 108 108 ALA N N 108 122.550 122.550 121.715 0.835 19751 519 1 1 . 1 1 108 108 ALA HA H 108 3.801 3.801 4.004 -0.203 19751 520 1 1 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.421 0.657 19751 521 1 1 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.901 0.036 19751 522 1 1 . 1 1 108 108 ALA H H 108 8.551 8.551 7.733 0.818 19751 523 1 1 . 1 1 109 109 THR N N 109 113.975 113.975 112.753 1.222 19751 524 1 1 . 1 1 109 109 THR HA H 109 3.806 3.806 4.034 -0.228 19751 525 1 1 . 1 1 109 109 THR C C 109 176.632 176.632 176.302 0.330 19751 526 1 1 . 1 1 109 109 THR CA C 109 67.362 67.362 65.994 1.368 19751 527 1 1 . 1 1 109 109 THR CB C 109 68.554 68.554 68.648 -0.094 19751 528 1 1 . 1 1 109 109 THR H H 109 8.197 8.197 7.376 0.821 19751 529 1 1 . 1 1 110 110 LYS N N 110 123.603 123.603 120.524 3.079 19751 530 1 1 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.219 -0.142 19751 531 1 1 . 1 1 110 110 LYS C C 110 179.640 179.640 177.722 1.918 19751 532 1 1 . 1 1 110 110 LYS CA C 110 59.365 59.365 58.461 0.904 19751 533 1 1 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.663 -0.592 19751 534 1 1 . 1 1 110 110 LYS H H 110 7.656 7.656 7.774 -0.118 19751 535 1 1 . 1 1 111 111 LEU N N 111 120.492 120.492 119.239 1.253 19751 536 1 1 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.252 -0.395 19751 537 1 1 . 1 1 111 111 LEU C C 111 179.289 179.289 178.842 0.447 19751 538 1 1 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.684 0.430 19751 539 1 1 . 1 1 111 111 LEU CB C 111 41.115 41.115 42.036 -0.921 19751 540 1 1 . 1 1 111 111 LEU H H 111 8.441 8.441 7.454 0.987 19751 541 1 1 . 1 1 112 112 LYS N N 112 120.305 120.305 118.565 1.740 19751 542 1 1 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.217 0.224 19751 543 1 1 . 1 1 112 112 LYS C C 112 181.574 181.574 178.773 2.801 19751 544 1 1 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.933 0.678 19751 545 1 1 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.996 0.297 19751 546 1 1 . 1 1 112 112 LYS H H 112 8.452 8.452 8.057 0.395 19751 547 1 1 . 1 1 113 113 SER N N 113 116.992 116.992 113.831 3.161 19751 548 1 1 . 1 1 113 113 SER HA H 113 4.389 4.389 4.255 0.134 19751 549 1 1 . 1 1 113 113 SER C C 113 175.200 175.200 175.795 -0.595 19751 550 1 1 . 1 1 113 113 SER CA C 113 61.260 61.260 60.558 0.702 19751 551 1 1 . 1 1 113 113 SER CB C 113 62.863 62.863 62.961 -0.098 19751 552 1 1 . 1 1 113 113 SER H H 113 7.995 7.995 7.846 0.149 19751 553 1 1 . 1 1 114 114 GLU N N 114 120.677 120.677 118.765 1.912 19751 554 1 1 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.377 0.054 19751 555 1 1 . 1 1 114 114 GLU C C 114 176.506 176.506 176.886 -0.380 19751 556 1 1 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.537 -0.225 19751 557 1 1 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.944 -1.547 19751 558 1 1 . 1 1 114 114 GLU H H 114 7.577 7.577 7.940 -0.363 19751 559 1 1 . 1 1 115 115 GLY N N 115 107.383 107.383 108.007 -0.624 19751 560 1 1 . 1 1 115 115 GLY C C 115 174.019 174.019 173.521 0.498 19751 561 1 1 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.704 0.794 19751 562 1 1 . 1 1 115 115 GLY H H 115 7.947 7.947 7.678 0.269 19751 563 1 1 . 1 1 116 116 VAL N N 116 121.389 121.389 120.559 0.830 19751 564 1 1 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.105 0.027 19751 565 1 1 . 1 1 116 116 VAL C C 116 175.092 175.092 174.479 0.613 19751 566 1 1 . 1 1 116 116 VAL CA C 116 61.077 61.077 61.152 -0.075 19751 567 1 1 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.473 0.570 19751 568 1 1 . 1 1 116 116 VAL H H 116 7.704 7.704 7.403 0.301 19751 569 1 1 . 1 1 117 117 ASN N N 117 125.670 125.670 128.011 -2.341 19751 570 1 1 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.712 0.082 19751 571 1 1 . 1 1 117 117 ASN C C 117 173.847 173.847 173.930 -0.083 19751 572 1 1 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.548 -0.344 19751 573 1 1 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.597 -0.596 19751 574 1 1 . 1 1 117 117 ASN H H 117 9.161 9.161 8.621 0.540 19751 575 1 1 . 1 1 118 118 VAL N N 118 121.648 121.648 119.324 2.324 19751 576 1 1 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.060 0.213 19751 577 1 1 . 1 1 118 118 VAL C C 118 173.553 173.553 174.260 -0.707 19751 578 1 1 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.426 -0.921 19751 579 1 1 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.877 -0.788 19751 580 1 1 . 1 1 118 118 VAL H H 118 7.811 7.811 7.725 0.086 19751 581 1 1 . 1 1 119 119 GLN N N 119 124.298 124.298 120.656 3.642 19751 582 1 1 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.673 -0.020 19751 583 1 1 . 1 1 119 119 GLN C C 119 174.263 174.263 174.384 -0.121 19751 584 1 1 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.377 -0.134 19751 585 1 1 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.714 -0.188 19751 586 1 1 . 1 1 119 119 GLN H H 119 8.746 8.746 8.310 0.436 19751 587 1 1 . 1 1 120 120 ILE N N 120 122.997 122.997 127.005 -4.008 19751 588 1 1 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.214 0.234 19751 589 1 1 . 1 1 120 120 ILE C C 120 175.616 175.616 176.039 -0.423 19751 590 1 1 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.042 0.915 19751 591 1 1 . 1 1 120 120 ILE CB C 120 39.930 39.930 35.901 4.029 19751 592 1 1 . 1 1 120 120 ILE H H 120 8.670 8.670 8.684 -0.014 19751 593 1 1 . 1 1 121 121 GLU N N 121 128.460 128.460 127.596 0.864 19751 594 1 1 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.544 -0.049 19751 595 1 1 . 1 1 121 121 GLU C C 121 175.490 175.490 174.611 0.879 19751 596 1 1 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.681 0.968 19751 597 1 1 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.572 -1.382 19751 598 1 1 . 1 1 121 121 GLU H H 121 8.641 8.641 8.320 0.321 19751 599 1 1 . 1 1 122 122 LEU N N 122 126.756 126.756 120.185 6.571 19751 600 1 1 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.618 -0.039 19751 601 1 1 . 1 1 122 122 LEU C C 122 177.291 177.291 176.339 0.952 19751 602 1 1 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.641 0.871 19751 603 1 1 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.156 -1.734 19751 604 1 1 . 1 1 122 122 LEU H H 122 8.642 8.642 8.498 0.144 19751 605 1 1 . 1 1 123 123 SER N N 123 117.273 117.273 116.437 0.836 19751 606 1 1 . 1 1 123 123 SER HA H 123 4.430 4.430 4.605 -0.175 19751 607 1 1 . 1 1 123 123 SER C C 123 175.066 175.066 174.501 0.565 19751 608 1 1 . 1 1 123 123 SER CA C 123 58.499 58.499 58.303 0.196 19751 609 1 1 . 1 1 123 123 SER CB C 123 63.946 63.946 63.382 0.564 19751 610 1 1 . 1 1 123 123 SER H H 123 8.496 8.496 8.687 -0.190 19751 611 1 1 . 1 1 124 124 GLY N N 124 111.280 111.280 109.010 2.270 19751 612 1 1 . 1 1 124 124 GLY C C 124 174.099 174.099 174.035 0.064 19751 613 1 1 . 1 1 124 124 GLY CA C 124 45.379 45.379 45.135 0.244 19751 614 1 1 . 1 1 124 124 GLY H H 124 8.566 8.566 8.187 0.379 19751 615 1 1 . 1 1 125 125 ALA N N 125 123.586 123.586 121.767 1.819 19751 616 1 1 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.797 -0.490 19751 617 1 1 . 1 1 125 125 ALA C C 125 177.915 177.915 178.259 -0.344 19751 618 1 1 . 1 1 125 125 ALA CA C 125 52.617 52.617 53.019 -0.402 19751 619 1 1 . 1 1 125 125 ALA CB C 125 19.308 19.308 19.747 -0.438 19751 620 1 1 . 1 1 125 125 ALA H H 125 8.158 8.158 8.299 -0.141 19751 621 1 1 . 1 1 126 126 GLU N N 126 120.076 120.076 119.749 0.327 19751 622 1 1 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.451 -0.100 19751 623 1 1 . 1 1 126 126 GLU C C 126 176.544 176.544 175.629 0.915 19751 624 1 1 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.761 1.122 19751 625 1 1 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.661 -0.051 19751 626 1 1 . 1 1 126 126 GLU H H 126 8.524 8.524 8.205 0.319 19751 627 1 1 . 1 1 127 127 GLN N N 127 121.453 121.453 120.085 1.368 19751 628 1 1 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.492 -0.185 19751 629 1 1 . 1 1 127 127 GLN C C 127 175.691 175.691 175.450 0.241 19751 630 1 1 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.497 0.083 19751 631 1 1 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.696 0.007 19751 632 1 1 . 1 1 127 127 GLN H H 127 8.356 8.356 8.443 -0.087 19751 633 1 1 . 1 1 128 128 GLN N N 128 122.570 122.570 121.115 1.455 19751 634 1 1 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.694 -0.109 19751 635 1 1 . 1 1 128 128 GLN CA C 128 53.744 53.744 54.003 -0.259 19751 636 1 1 . 1 1 128 128 GLN CB C 128 28.864 28.864 29.239 -0.375 19751 637 1 1 . 1 1 128 128 GLN H H 128 8.348 8.348 8.484 -0.136 19751 638 1 1 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.455 -0.054 19751 639 1 1 . 1 1 129 129 PRO C C 129 175.988 175.988 176.695 -0.707 19751 640 1 1 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.536 0.913 19751 641 1 1 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.283 -0.326 19751 642 1 2 . 1 1 2 2 GLU N N 2 122.196 122.196 121.280 0.916 19751 643 1 2 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.621 -0.386 19751 644 1 2 . 1 1 2 2 GLU C C 2 175.712 175.712 175.460 0.252 19751 645 1 2 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.215 0.417 19751 646 1 2 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.275 -0.304 19751 647 1 2 . 1 1 2 2 GLU H H 2 8.617 8.617 8.400 0.217 19751 648 1 2 . 1 1 3 3 SER N N 3 116.623 116.623 117.910 -1.287 19751 649 1 2 . 1 1 3 3 SER HA H 3 4.597 4.597 4.836 -0.239 19751 650 1 2 . 1 1 3 3 SER C C 3 174.294 174.294 173.963 0.331 19751 651 1 2 . 1 1 3 3 SER CA C 3 58.386 58.386 57.554 0.832 19751 652 1 2 . 1 1 3 3 SER CB C 3 64.039 64.039 64.478 -0.439 19751 653 1 2 . 1 1 3 3 SER H H 3 8.305 8.305 8.538 -0.233 19751 654 1 2 . 1 1 4 4 VAL N N 4 121.759 121.759 119.737 2.022 19751 655 1 2 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.599 -0.290 19751 656 1 2 . 1 1 4 4 VAL C C 4 176.177 176.177 174.900 1.277 19751 657 1 2 . 1 1 4 4 VAL CA C 4 61.709 61.709 61.215 0.494 19751 658 1 2 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.689 -0.334 19751 659 1 2 . 1 1 4 4 VAL H H 4 8.303 8.303 8.331 -0.028 19751 660 1 2 . 1 1 5 5 THR N N 5 118.335 118.335 116.712 1.623 19751 661 1 2 . 1 1 5 5 THR HA H 5 4.592 4.592 4.651 -0.059 19751 662 1 2 . 1 1 5 5 THR C C 5 173.579 173.579 173.266 0.313 19751 663 1 2 . 1 1 5 5 THR CA C 5 62.022 62.022 61.431 0.591 19751 664 1 2 . 1 1 5 5 THR CB C 5 70.047 70.047 69.796 0.251 19751 665 1 2 . 1 1 5 5 THR H H 5 8.319 8.319 8.086 0.233 19751 666 1 2 . 1 1 6 6 MET N N 6 123.858 123.858 123.323 0.535 19751 667 1 2 . 1 1 6 6 MET CA C 6 57.260 57.260 55.493 1.767 19751 668 1 2 . 1 1 6 6 MET CB C 6 33.780 33.780 34.282 -0.502 19751 669 1 2 . 1 1 6 6 MET H H 6 8.035 8.035 8.321 -0.286 19751 670 1 2 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.866 -0.369 19751 671 1 2 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.668 0.482 19751 672 1 2 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.613 -1.349 19751 673 1 2 . 1 1 8 8 GLY N N 8 114.130 114.130 110.483 3.647 19751 674 1 2 . 1 1 8 8 GLY CA C 8 45.613 45.613 45.459 0.154 19751 675 1 2 . 1 1 8 8 GLY H H 8 8.386 8.386 8.441 -0.055 19751 676 1 2 . 1 1 9 9 LYS N N 9 120.803 120.803 121.368 -0.565 19751 677 1 2 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.556 -0.212 19751 678 1 2 . 1 1 9 9 LYS H H 9 8.021 8.021 8.405 -0.384 19751 679 1 2 . 1 1 10 10 GLN N N 10 120.522 120.522 120.775 -0.253 19751 680 1 2 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.655 -0.188 19751 681 1 2 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.767 -0.486 19751 682 1 2 . 1 1 10 10 GLN CB C 10 30.410 30.410 29.235 1.175 19751 683 1 2 . 1 1 10 10 GLN H H 10 8.246 8.246 8.423 -0.177 19751 684 1 2 . 1 1 11 11 TYR N N 11 121.213 121.213 121.493 -0.280 19751 685 1 2 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.659 -0.360 19751 686 1 2 . 1 1 11 11 TYR CA C 11 56.949 56.949 58.073 -1.124 19751 687 1 2 . 1 1 11 11 TYR CB C 11 43.274 43.274 40.738 2.536 19751 688 1 2 . 1 1 11 11 TYR H H 11 8.873 8.873 8.237 0.636 19751 689 1 2 . 1 1 12 12 SER N N 12 117.406 117.406 119.895 -2.489 19751 690 1 2 . 1 1 12 12 SER HA H 12 4.715 4.715 4.865 -0.150 19751 691 1 2 . 1 1 12 12 SER CA C 12 57.374 57.374 58.382 -1.008 19751 692 1 2 . 1 1 12 12 SER CB C 12 63.946 63.946 63.499 0.447 19751 693 1 2 . 1 1 12 12 SER H H 12 9.047 9.047 8.810 0.237 19751 694 1 2 . 1 1 13 13 THR N N 13 112.091 112.091 119.434 -7.343 19751 695 1 2 . 1 1 13 13 THR HA H 13 4.929 4.929 4.553 0.376 19751 696 1 2 . 1 1 13 13 THR CA C 13 60.716 60.716 62.025 -1.309 19751 697 1 2 . 1 1 13 13 THR CB C 13 71.808 71.808 70.169 1.639 19751 698 1 2 . 1 1 13 13 THR H H 13 8.235 8.235 8.346 -0.111 19751 699 1 2 . 1 1 14 14 ILE N N 14 120.891 120.891 123.997 -3.106 19751 700 1 2 . 1 1 14 14 ILE H H 14 9.108 9.108 8.333 0.775 19751 701 1 2 . 1 1 15 15 GLU N N 15 127.598 127.598 127.704 -0.106 19751 702 1 2 . 1 1 15 15 GLU H H 15 8.300 8.300 8.500 -0.200 19751 703 1 2 . 1 1 16 16 VAL N N 16 126.224 126.224 123.192 3.032 19751 704 1 2 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.301 -0.017 19751 705 1 2 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.409 0.426 19751 706 1 2 . 1 1 16 16 VAL CB C 16 34.896 34.896 33.202 1.694 19751 707 1 2 . 1 1 16 16 VAL H H 16 9.320 9.320 8.466 0.854 19751 708 1 2 . 1 1 17 17 ASN N N 17 123.394 123.394 126.920 -3.526 19751 709 1 2 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.423 0.741 19751 710 1 2 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.950 -0.401 19751 711 1 2 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.675 -0.460 19751 712 1 2 . 1 1 17 17 ASN H H 17 9.310 9.310 9.263 0.047 19751 713 1 2 . 1 1 18 18 GLY H H 18 9.024 9.024 8.186 0.838 19751 714 1 2 . 1 1 19 19 GLN N N 19 119.994 119.994 119.348 0.646 19751 715 1 2 . 1 1 19 19 GLN H H 19 7.990 7.990 7.738 0.252 19751 716 1 2 . 1 1 20 20 THR N N 20 117.472 117.472 118.516 -1.044 19751 717 1 2 . 1 1 20 20 THR HA H 20 4.384 4.384 4.401 -0.017 19751 718 1 2 . 1 1 20 20 THR CA C 20 63.334 63.334 61.460 1.874 19751 719 1 2 . 1 1 20 20 THR CB C 20 69.401 69.401 69.404 -0.003 19751 720 1 2 . 1 1 20 20 THR H H 20 8.401 8.401 8.349 0.052 19751 721 1 2 . 1 1 21 21 TYR N N 21 126.847 126.847 123.112 3.735 19751 722 1 2 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.682 -0.520 19751 723 1 2 . 1 1 21 21 TYR CA C 21 57.487 57.487 56.584 0.903 19751 724 1 2 . 1 1 21 21 TYR CB C 21 43.330 43.330 38.821 4.509 19751 725 1 2 . 1 1 21 21 TYR H H 21 9.367 9.367 8.170 1.197 19751 726 1 2 . 1 1 22 22 LEU N N 22 118.537 118.537 122.674 -4.137 19751 727 1 2 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.608 -0.416 19751 728 1 2 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.438 2.483 19751 729 1 2 . 1 1 22 22 LEU CB C 22 43.212 43.212 42.815 0.397 19751 730 1 2 . 1 1 22 22 LEU H H 22 9.060 9.060 8.395 0.665 19751 731 1 2 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.616 -0.225 19751 732 1 2 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.669 0.665 19751 733 1 2 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.489 -0.349 19751 734 1 2 . 1 1 25 25 ASP N N 25 121.554 121.554 121.999 -0.445 19751 735 1 2 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.883 -0.291 19751 736 1 2 . 1 1 25 25 ASP CA C 25 54.308 54.308 54.074 0.234 19751 737 1 2 . 1 1 25 25 ASP CB C 25 41.087 41.087 42.546 -1.459 19751 738 1 2 . 1 1 25 25 ASP H H 25 8.324 8.324 8.560 -0.236 19751 739 1 2 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.855 -0.116 19751 740 1 2 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.804 -1.148 19751 741 1 2 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.591 -0.459 19751 742 1 2 . 1 1 27 27 GLY N N 27 109.206 109.206 109.797 -0.591 19751 743 1 2 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.598 0.816 19751 744 1 2 . 1 1 27 27 GLY H H 27 8.494 8.494 8.344 0.150 19751 745 1 2 . 1 1 28 28 SER N N 28 116.238 116.238 116.410 -0.172 19751 746 1 2 . 1 1 28 28 SER HA H 28 4.384 4.384 4.751 -0.367 19751 747 1 2 . 1 1 28 28 SER CA C 28 60.226 60.226 58.474 1.752 19751 748 1 2 . 1 1 28 28 SER CB C 28 63.818 63.818 64.389 -0.571 19751 749 1 2 . 1 1 28 28 SER H H 28 8.372 8.372 8.123 0.249 19751 750 1 2 . 1 1 29 29 LYS N N 29 121.905 121.905 126.045 -4.140 19751 751 1 2 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.401 -0.070 19751 752 1 2 . 1 1 29 29 LYS CA C 29 56.353 56.353 57.266 -0.913 19751 753 1 2 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.234 0.113 19751 754 1 2 . 1 1 29 29 LYS H H 29 8.027 8.027 8.392 -0.365 19751 755 1 2 . 1 1 30 30 LYS N N 30 122.663 122.663 122.656 0.007 19751 756 1 2 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.655 -0.361 19751 757 1 2 . 1 1 30 30 LYS CA C 30 56.214 56.214 56.142 0.072 19751 758 1 2 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.856 -0.685 19751 759 1 2 . 1 1 30 30 LYS H H 30 8.223 8.223 8.463 -0.240 19751 760 1 2 . 1 1 31 31 ARG N N 31 123.469 123.469 120.943 2.526 19751 761 1 2 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.653 -0.298 19751 762 1 2 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.717 0.578 19751 763 1 2 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.049 0.805 19751 764 1 2 . 1 1 31 31 ARG H H 31 8.404 8.404 8.617 -0.213 19751 765 1 2 . 1 1 32 32 VAL N N 32 122.456 122.456 120.804 1.652 19751 766 1 2 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.792 -0.549 19751 767 1 2 . 1 1 32 32 VAL CA C 32 62.316 62.316 62.360 -0.044 19751 768 1 2 . 1 1 32 32 VAL CB C 32 32.863 32.863 34.266 -1.403 19751 769 1 2 . 1 1 32 32 VAL H H 32 8.214 8.214 9.132 -0.918 19751 770 1 2 . 1 1 33 33 ALA N N 33 127.685 127.685 129.736 -2.051 19751 771 1 2 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.797 -0.495 19751 772 1 2 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.996 0.621 19751 773 1 2 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.531 -1.223 19751 774 1 2 . 1 1 33 33 ALA H H 33 8.374 8.374 8.238 0.136 19751 775 1 2 . 1 1 34 34 ARG N N 34 119.922 119.922 121.202 -1.280 19751 776 1 2 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.804 -0.481 19751 777 1 2 . 1 1 34 34 ARG CA C 34 56.820 56.820 56.000 0.820 19751 778 1 2 . 1 1 34 34 ARG CB C 34 30.160 30.160 30.920 -0.760 19751 779 1 2 . 1 1 34 34 ARG H H 34 8.652 8.652 8.704 -0.052 19751 780 1 2 . 1 1 35 35 SER N N 35 116.881 116.881 118.695 -1.814 19751 781 1 2 . 1 1 35 35 SER HA H 35 4.543 4.543 4.649 -0.106 19751 782 1 2 . 1 1 35 35 SER CA C 35 58.440 58.440 57.951 0.489 19751 783 1 2 . 1 1 35 35 SER CB C 35 64.094 64.094 63.835 0.259 19751 784 1 2 . 1 1 35 35 SER H H 35 8.359 8.359 8.543 -0.184 19751 785 1 2 . 1 1 36 36 LEU N N 36 124.595 124.595 123.327 1.268 19751 786 1 2 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.987 -0.614 19751 787 1 2 . 1 1 36 36 LEU CA C 36 55.594 55.594 54.213 1.381 19751 788 1 2 . 1 1 36 36 LEU CB C 36 42.278 42.278 44.388 -2.110 19751 789 1 2 . 1 1 36 36 LEU H H 36 8.546 8.546 8.381 0.165 19751 790 1 2 . 1 1 37 37 ASP N N 37 119.422 119.422 122.538 -3.116 19751 791 1 2 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.035 -0.443 19751 792 1 2 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.733 0.575 19751 793 1 2 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.876 -1.694 19751 794 1 2 . 1 1 37 37 ASP H H 37 8.186 8.186 8.987 -0.801 19751 795 1 2 . 1 1 38 38 SER N N 38 116.413 116.413 117.661 -1.248 19751 796 1 2 . 1 1 38 38 SER HA H 38 4.450 4.450 4.524 -0.074 19751 797 1 2 . 1 1 38 38 SER CA C 38 58.499 58.499 59.547 -1.048 19751 798 1 2 . 1 1 38 38 SER CB C 38 63.818 63.818 63.588 0.230 19751 799 1 2 . 1 1 38 38 SER H H 38 8.177 8.177 8.479 -0.302 19751 800 1 2 . 1 1 39 39 LYS N N 39 123.095 123.095 126.942 -3.847 19751 801 1 2 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.572 -0.235 19751 802 1 2 . 1 1 39 39 LYS CA C 39 56.679 56.679 57.292 -0.613 19751 803 1 2 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.411 -1.179 19751 804 1 2 . 1 1 39 39 LYS H H 39 8.379 8.379 8.584 -0.205 19751 805 1 2 . 1 1 40 40 VAL N N 40 122.475 122.475 126.436 -3.961 19751 806 1 2 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.230 0.158 19751 807 1 2 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.551 -1.391 19751 808 1 2 . 1 1 40 40 VAL CB C 40 32.615 32.615 33.397 -0.782 19751 809 1 2 . 1 1 40 40 VAL H H 40 8.069 8.069 8.496 -0.427 19751 810 1 2 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.573 -0.152 19751 811 1 2 . 1 1 41 41 PRO CA C 41 62.758 62.758 62.758 -0.000 19751 812 1 2 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.605 1.702 19751 813 1 2 . 1 1 42 42 GLN N N 42 121.230 121.230 122.819 -1.589 19751 814 1 2 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.623 -0.344 19751 815 1 2 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.643 0.385 19751 816 1 2 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.548 -0.829 19751 817 1 2 . 1 1 42 42 GLN H H 42 8.482 8.482 8.211 0.271 19751 818 1 2 . 1 1 43 43 GLN N N 43 121.831 121.831 123.638 -1.807 19751 819 1 2 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.565 -0.176 19751 820 1 2 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.200 -0.276 19751 821 1 2 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.047 -0.518 19751 822 1 2 . 1 1 43 43 GLN H H 43 8.506 8.506 8.481 0.025 19751 823 1 2 . 1 1 44 44 THR N N 44 116.251 116.251 116.873 -0.622 19751 824 1 2 . 1 1 44 44 THR HA H 44 4.302 4.302 4.860 -0.558 19751 825 1 2 . 1 1 44 44 THR CA C 44 61.922 61.922 61.294 0.628 19751 826 1 2 . 1 1 44 44 THR CB C 44 69.811 69.811 70.535 -0.724 19751 827 1 2 . 1 1 44 44 THR H H 44 8.231 8.231 8.550 -0.319 19751 828 1 2 . 1 1 45 45 LEU N N 45 125.046 125.046 124.084 0.962 19751 829 1 2 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.852 -0.354 19751 830 1 2 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.987 0.120 19751 831 1 2 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.928 -1.116 19751 832 1 2 . 1 1 45 45 LEU H H 45 8.257 8.257 8.982 -0.725 19751 833 1 2 . 1 1 46 46 ARG N N 46 120.522 120.522 123.708 -3.186 19751 834 1 2 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.131 -0.898 19751 835 1 2 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.212 1.252 19751 836 1 2 . 1 1 46 46 ARG CB C 46 29.971 29.971 32.452 -2.481 19751 837 1 2 . 1 1 46 46 ARG H H 46 8.007 8.007 8.767 -0.760 19751 838 1 2 . 1 1 47 47 ARG N N 47 121.010 121.010 121.207 -0.197 19751 839 1 2 . 1 1 47 47 ARG H H 47 8.324 8.324 8.699 -0.375 19751 840 1 2 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.606 0.734 19751 841 1 2 . 1 1 49 49 ASP N N 49 120.513 120.513 122.429 -1.916 19751 842 1 2 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.692 -0.073 19751 843 1 2 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.885 0.445 19751 844 1 2 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.374 -1.211 19751 845 1 2 . 1 1 49 49 ASP H H 49 8.225 8.225 8.122 0.103 19751 846 1 2 . 1 1 50 50 VAL N N 50 119.718 119.718 122.702 -2.984 19751 847 1 2 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.550 -0.478 19751 848 1 2 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.919 0.483 19751 849 1 2 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.269 -0.475 19751 850 1 2 . 1 1 50 50 VAL H H 50 8.024 8.024 8.362 -0.338 19751 851 1 2 . 1 1 51 51 LEU N N 51 125.249 125.249 124.878 0.371 19751 852 1 2 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.835 -0.489 19751 853 1 2 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.856 0.514 19751 854 1 2 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.627 -1.248 19751 855 1 2 . 1 1 51 51 LEU H H 51 8.305 8.305 8.226 0.079 19751 856 1 2 . 1 1 52 52 MET HA H 52 4.458 4.458 4.889 -0.431 19751 857 1 2 . 1 1 52 52 MET CA C 52 55.417 55.417 55.777 -0.360 19751 858 1 2 . 1 1 52 52 MET CB C 52 32.264 32.264 34.724 -2.460 19751 859 1 2 . 1 1 53 53 GLN N N 53 121.447 121.447 123.009 -1.562 19751 860 1 2 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.193 -0.886 19751 861 1 2 . 1 1 53 53 GLN CA C 53 56.214 56.214 54.990 1.224 19751 862 1 2 . 1 1 53 53 GLN CB C 53 29.697 29.697 31.969 -2.272 19751 863 1 2 . 1 1 53 53 GLN H H 53 8.373 8.373 9.193 -0.820 19751 864 1 2 . 1 1 54 54 GLY N N 54 110.484 110.484 109.085 1.399 19751 865 1 2 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.024 0.226 19751 866 1 2 . 1 1 54 54 GLY H H 54 8.456 8.456 8.828 -0.372 19751 867 1 2 . 1 1 55 55 ALA N N 55 123.673 123.673 123.588 0.085 19751 868 1 2 . 1 1 55 55 ALA HA H 55 4.307 4.307 5.366 -1.059 19751 869 1 2 . 1 1 55 55 ALA C C 55 177.397 177.397 177.187 0.210 19751 870 1 2 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.537 0.080 19751 871 1 2 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.138 -0.830 19751 872 1 2 . 1 1 55 55 ALA H H 55 8.113 8.113 10.385 -2.272 19751 873 1 2 . 1 1 56 56 ALA N N 56 123.295 123.295 124.885 -1.590 19751 874 1 2 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.216 -0.913 19751 875 1 2 . 1 1 56 56 ALA C C 56 177.446 177.446 176.610 0.836 19751 876 1 2 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.826 0.607 19751 877 1 2 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.762 -1.454 19751 878 1 2 . 1 1 56 56 ALA H H 56 8.297 8.297 8.872 -0.575 19751 879 1 2 . 1 1 57 57 SER N N 57 116.534 116.534 117.100 -0.566 19751 880 1 2 . 1 1 57 57 SER HA H 57 4.737 4.737 4.705 0.032 19751 881 1 2 . 1 1 57 57 SER CA C 57 56.332 56.332 57.681 -1.349 19751 882 1 2 . 1 1 57 57 SER CB C 57 63.567 63.567 63.240 0.327 19751 883 1 2 . 1 1 57 57 SER H H 57 8.258 8.258 8.803 -0.545 19751 884 1 2 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.732 -0.330 19751 885 1 2 . 1 1 58 58 PRO C C 58 176.874 176.874 175.725 1.149 19751 886 1 2 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.117 0.240 19751 887 1 2 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.837 -0.801 19751 888 1 2 . 1 1 59 59 GLU N N 59 120.545 120.545 118.913 1.632 19751 889 1 2 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.854 -0.618 19751 890 1 2 . 1 1 59 59 GLU C C 59 176.383 176.383 174.564 1.819 19751 891 1 2 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.556 1.019 19751 892 1 2 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.701 -1.598 19751 893 1 2 . 1 1 59 59 GLU H H 59 8.556 8.556 8.670 -0.114 19751 894 1 2 . 1 1 60 60 LEU N N 60 122.946 122.946 120.708 2.238 19751 895 1 2 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.733 -0.289 19751 896 1 2 . 1 1 60 60 LEU C C 60 177.201 177.201 174.834 2.367 19751 897 1 2 . 1 1 60 60 LEU CA C 60 55.120 55.120 55.036 0.084 19751 898 1 2 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.088 -0.800 19751 899 1 2 . 1 1 60 60 LEU H H 60 8.205 8.205 8.379 -0.174 19751 900 1 2 . 1 1 61 61 THR N N 61 115.168 115.168 116.765 -1.597 19751 901 1 2 . 1 1 61 61 THR HA H 61 4.380 4.380 4.652 -0.272 19751 902 1 2 . 1 1 61 61 THR C C 61 174.201 174.201 172.543 1.658 19751 903 1 2 . 1 1 61 61 THR CA C 61 61.792 61.792 62.455 -0.663 19751 904 1 2 . 1 1 61 61 THR CB C 61 69.770 69.770 70.130 -0.360 19751 905 1 2 . 1 1 61 61 THR H H 61 8.149 8.149 8.350 -0.201 19751 906 1 2 . 1 1 62 62 VAL N N 62 121.650 121.650 123.187 -1.537 19751 907 1 2 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.361 -0.042 19751 908 1 2 . 1 1 62 62 VAL C C 62 175.921 175.921 173.445 2.476 19751 909 1 2 . 1 1 62 62 VAL CA C 62 61.709 61.709 61.752 -0.043 19751 910 1 2 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.329 -0.974 19751 911 1 2 . 1 1 62 62 VAL H H 62 8.091 8.091 8.042 0.049 19751 912 1 2 . 1 1 63 63 SER N N 63 120.076 120.076 120.118 -0.042 19751 913 1 2 . 1 1 63 63 SER HA H 63 4.542 4.542 4.790 -0.248 19751 914 1 2 . 1 1 63 63 SER C C 63 174.254 174.254 173.205 1.049 19751 915 1 2 . 1 1 63 63 SER CA C 63 58.375 58.375 57.625 0.750 19751 916 1 2 . 1 1 63 63 SER CB C 63 64.196 64.196 65.434 -1.238 19751 917 1 2 . 1 1 63 63 SER H H 63 8.524 8.524 8.214 0.310 19751 918 1 2 . 1 1 64 64 GLY N N 64 109.912 109.912 112.446 -2.534 19751 919 1 2 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.868 -0.484 19751 920 1 2 . 1 1 64 64 GLY H H 64 8.255 8.255 8.686 -0.431 19751 921 1 2 . 1 1 65 65 THR N N 65 114.200 114.200 115.869 -1.669 19751 922 1 2 . 1 1 65 65 THR HA H 65 4.929 4.929 5.222 -0.293 19751 923 1 2 . 1 1 65 65 THR CA C 65 60.826 60.826 61.698 -0.872 19751 924 1 2 . 1 1 65 65 THR CB C 65 71.805 71.805 72.612 -0.807 19751 925 1 2 . 1 1 65 65 THR H H 65 8.468 8.468 7.988 0.480 19751 926 1 2 . 1 1 66 66 LEU N N 66 122.673 122.673 122.792 -0.119 19751 927 1 2 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.825 0.096 19751 928 1 2 . 1 1 66 66 LEU C C 66 174.364 174.364 174.325 0.039 19751 929 1 2 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.228 -0.818 19751 930 1 2 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.005 -1.554 19751 931 1 2 . 1 1 66 66 LEU H H 66 9.054 9.054 8.800 0.254 19751 932 1 2 . 1 1 67 67 LEU N N 67 124.219 124.219 126.463 -2.244 19751 933 1 2 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.863 0.345 19751 934 1 2 . 1 1 67 67 LEU C C 67 177.107 177.107 175.757 1.350 19751 935 1 2 . 1 1 67 67 LEU CA C 67 53.773 53.773 53.925 -0.152 19751 936 1 2 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.371 0.835 19751 937 1 2 . 1 1 67 67 LEU H H 67 8.927 8.927 9.144 -0.217 19751 938 1 2 . 1 1 68 68 VAL N N 68 121.113 121.113 124.587 -3.474 19751 939 1 2 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.272 0.584 19751 940 1 2 . 1 1 68 68 VAL C C 68 174.079 174.079 174.736 -0.657 19751 941 1 2 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.139 -0.281 19751 942 1 2 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.265 0.750 19751 943 1 2 . 1 1 68 68 VAL H H 68 9.345 9.345 8.698 0.647 19751 944 1 2 . 1 1 69 69 GLU N N 69 127.682 127.682 130.680 -2.998 19751 945 1 2 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.598 0.301 19751 946 1 2 . 1 1 69 69 GLU C C 69 173.485 173.485 174.728 -1.243 19751 947 1 2 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.334 -0.987 19751 948 1 2 . 1 1 69 69 GLU CB C 69 28.971 28.971 27.729 1.242 19751 949 1 2 . 1 1 69 69 GLU H H 69 8.110 8.110 8.691 -0.581 19751 950 1 2 . 1 1 70 70 ALA N N 70 130.042 130.042 127.980 2.062 19751 951 1 2 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.570 -0.006 19751 952 1 2 . 1 1 70 70 ALA C C 70 174.853 174.853 175.893 -1.040 19751 953 1 2 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.292 0.412 19751 954 1 2 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.338 0.093 19751 955 1 2 . 1 1 70 70 ALA H H 70 7.991 7.991 7.723 0.268 19751 956 1 2 . 1 1 71 71 ASP N N 71 117.021 117.021 120.252 -3.231 19751 957 1 2 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.662 -0.082 19751 958 1 2 . 1 1 71 71 ASP C C 71 175.160 175.160 177.094 -1.934 19751 959 1 2 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.261 -0.218 19751 960 1 2 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.243 -1.321 19751 961 1 2 . 1 1 71 71 ASP H H 71 8.025 8.025 8.497 -0.472 19751 962 1 2 . 1 1 72 72 ASP N N 72 119.867 119.867 120.378 -0.511 19751 963 1 2 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.615 0.508 19751 964 1 2 . 1 1 72 72 ASP C C 72 177.598 177.598 177.615 -0.017 19751 965 1 2 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.687 0.770 19751 966 1 2 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.364 -0.375 19751 967 1 2 . 1 1 72 72 ASP H H 72 8.644 8.644 8.616 0.028 19751 968 1 2 . 1 1 73 73 ALA N N 73 120.735 120.735 121.155 -0.420 19751 969 1 2 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.045 -0.093 19751 970 1 2 . 1 1 73 73 ALA C C 73 181.711 181.711 179.971 1.740 19751 971 1 2 . 1 1 73 73 ALA CA C 73 55.357 55.357 55.042 0.315 19751 972 1 2 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.393 -0.572 19751 973 1 2 . 1 1 73 73 ALA H H 73 8.212 8.212 8.153 0.059 19751 974 1 2 . 1 1 74 74 SER N N 74 116.971 116.971 114.171 2.800 19751 975 1 2 . 1 1 74 74 SER HA H 74 4.207 4.207 4.191 0.016 19751 976 1 2 . 1 1 74 74 SER C C 74 176.918 176.918 176.136 0.782 19751 977 1 2 . 1 1 74 74 SER CA C 74 61.632 61.632 61.161 0.471 19751 978 1 2 . 1 1 74 74 SER CB C 74 62.233 62.233 63.048 -0.815 19751 979 1 2 . 1 1 74 74 SER H H 74 8.376 8.376 7.450 0.926 19751 980 1 2 . 1 1 75 75 ALA N N 75 124.844 124.844 125.450 -0.606 19751 981 1 2 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.771 0.051 19751 982 1 2 . 1 1 75 75 ALA C C 75 179.160 179.160 178.967 0.193 19751 983 1 2 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.116 0.185 19751 984 1 2 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.627 0.885 19751 985 1 2 . 1 1 75 75 ALA H H 75 9.121 9.121 7.721 1.400 19751 986 1 2 . 1 1 76 76 LYS N N 76 117.821 117.821 117.970 -0.149 19751 987 1 2 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.994 -0.189 19751 988 1 2 . 1 1 76 76 LYS C C 76 179.175 179.175 178.635 0.540 19751 989 1 2 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.303 0.835 19751 990 1 2 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.861 0.501 19751 991 1 2 . 1 1 76 76 LYS H H 76 8.306 8.306 7.782 0.524 19751 992 1 2 . 1 1 77 77 ALA N N 77 122.703 122.703 121.176 1.527 19751 993 1 2 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.131 0.059 19751 994 1 2 . 1 1 77 77 ALA C C 77 180.868 180.868 179.669 1.199 19751 995 1 2 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.665 0.487 19751 996 1 2 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.251 -0.419 19751 997 1 2 . 1 1 77 77 ALA H H 77 7.584 7.584 7.549 0.035 19751 998 1 2 . 1 1 78 78 LEU N N 78 120.574 120.574 118.696 1.878 19751 999 1 2 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.098 -0.062 19751 1000 1 2 . 1 1 78 78 LEU C C 78 178.870 178.870 179.041 -0.171 19751 1001 1 2 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.832 1.056 19751 1002 1 2 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.983 0.496 19751 1003 1 2 . 1 1 78 78 LEU H H 78 8.338 8.338 7.700 0.638 19751 1004 1 2 . 1 1 79 79 ALA N N 79 121.156 121.156 121.579 -0.423 19751 1005 1 2 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.090 -0.195 19751 1006 1 2 . 1 1 79 79 ALA C C 79 179.393 179.393 179.060 0.333 19751 1007 1 2 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.391 0.369 19751 1008 1 2 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.418 -1.162 19751 1009 1 2 . 1 1 79 79 ALA H H 79 8.491 8.491 8.528 -0.037 19751 1010 1 2 . 1 1 80 80 THR N N 80 114.097 114.097 111.724 2.373 19751 1011 1 2 . 1 1 80 80 THR HA H 80 4.048 4.048 4.255 -0.207 19751 1012 1 2 . 1 1 80 80 THR C C 80 177.034 177.034 176.405 0.629 19751 1013 1 2 . 1 1 80 80 THR CA C 80 66.139 66.139 65.411 0.728 19751 1014 1 2 . 1 1 80 80 THR CB C 80 69.243 69.243 69.102 0.141 19751 1015 1 2 . 1 1 80 80 THR H H 80 8.111 8.111 7.798 0.313 19751 1016 1 2 . 1 1 81 81 ARG N N 81 121.321 121.321 120.670 0.651 19751 1017 1 2 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.185 -0.242 19751 1018 1 2 . 1 1 81 81 ARG C C 81 177.546 177.546 178.054 -0.508 19751 1019 1 2 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.273 0.767 19751 1020 1 2 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.376 0.347 19751 1021 1 2 . 1 1 81 81 ARG H H 81 7.893 7.893 7.575 0.318 19751 1022 1 2 . 1 1 82 82 HIS N N 82 113.320 113.320 115.082 -1.762 19751 1023 1 2 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.503 0.206 19751 1024 1 2 . 1 1 82 82 HIS C C 82 174.918 174.918 175.889 -0.971 19751 1025 1 2 . 1 1 82 82 HIS CA C 82 56.162 56.162 56.591 -0.429 19751 1026 1 2 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.361 1.147 19751 1027 1 2 . 1 1 82 82 HIS H H 82 7.684 7.684 7.923 -0.239 19751 1028 1 2 . 1 1 83 83 GLY N N 83 109.763 109.763 106.106 3.657 19751 1029 1 2 . 1 1 83 83 GLY C C 83 174.866 174.866 174.203 0.663 19751 1030 1 2 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.913 2.364 19751 1031 1 2 . 1 1 83 83 GLY H H 83 7.707 7.707 7.742 -0.035 19751 1032 1 2 . 1 1 84 84 LEU N N 84 119.225 119.225 119.387 -0.162 19751 1033 1 2 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.495 0.339 19751 1034 1 2 . 1 1 84 84 LEU C C 84 174.880 174.880 176.381 -1.501 19751 1035 1 2 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.172 -1.303 19751 1036 1 2 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.642 2.441 19751 1037 1 2 . 1 1 84 84 LEU H H 84 8.672 8.672 7.271 1.401 19751 1038 1 2 . 1 1 85 85 ASN N N 85 117.042 117.042 116.906 0.136 19751 1039 1 2 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.885 0.283 19751 1040 1 2 . 1 1 85 85 ASN C C 85 175.212 175.212 173.942 1.270 19751 1041 1 2 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.448 -0.590 19751 1042 1 2 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.966 -0.084 19751 1043 1 2 . 1 1 85 85 ASN H H 85 8.955 8.955 8.418 0.537 19751 1044 1 2 . 1 1 86 86 PHE N N 86 126.957 126.957 127.011 -0.054 19751 1045 1 2 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.510 -0.069 19751 1046 1 2 . 1 1 86 86 PHE C C 86 173.744 173.744 174.865 -1.121 19751 1047 1 2 . 1 1 86 86 PHE CA C 86 58.606 58.606 58.013 0.593 19751 1048 1 2 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.848 0.216 19751 1049 1 2 . 1 1 86 86 PHE H H 86 9.221 9.221 8.968 0.253 19751 1050 1 2 . 1 1 87 87 LYS N N 87 129.305 129.305 128.655 0.650 19751 1051 1 2 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.106 0.245 19751 1052 1 2 . 1 1 87 87 LYS C C 87 175.203 175.203 175.803 -0.600 19751 1053 1 2 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.938 -0.241 19751 1054 1 2 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.564 0.010 19751 1055 1 2 . 1 1 87 87 LYS H H 87 8.397 8.397 8.727 -0.330 19751 1056 1 2 . 1 1 88 88 GLN N N 88 110.785 110.785 115.028 -4.243 19751 1057 1 2 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.363 0.028 19751 1058 1 2 . 1 1 88 88 GLN C C 88 185.308 185.308 173.824 11.484 19751 1059 1 2 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.769 -0.016 19751 1060 1 2 . 1 1 88 88 GLN H H 88 6.855 6.855 7.662 -0.807 19751 1061 1 2 . 1 1 89 89 SER N N 89 113.927 113.927 115.089 -1.162 19751 1062 1 2 . 1 1 89 89 SER HA H 89 5.298 5.298 5.257 0.041 19751 1063 1 2 . 1 1 89 89 SER C C 89 173.757 173.757 173.907 -0.150 19751 1064 1 2 . 1 1 89 89 SER CA C 89 56.776 56.776 56.938 -0.162 19751 1065 1 2 . 1 1 89 89 SER CB C 89 67.417 67.417 66.682 0.735 19751 1066 1 2 . 1 1 89 89 SER H H 89 8.718 8.718 8.493 0.225 19751 1067 1 2 . 1 1 90 90 SER N N 90 114.246 114.246 116.750 -2.504 19751 1068 1 2 . 1 1 90 90 SER HA H 90 4.597 4.597 4.681 -0.084 19751 1069 1 2 . 1 1 90 90 SER CA C 90 58.356 58.356 57.713 0.643 19751 1070 1 2 . 1 1 90 90 SER CB C 90 63.952 63.952 63.256 0.696 19751 1071 1 2 . 1 1 90 90 SER H H 90 8.479 8.479 8.503 -0.024 19751 1072 1 2 . 1 1 91 91 GLY N N 91 116.101 116.101 109.908 6.193 19751 1073 1 2 . 1 1 91 91 GLY C C 91 174.853 174.853 174.408 0.445 19751 1074 1 2 . 1 1 91 91 GLY CA C 91 47.155 47.155 46.309 0.846 19751 1075 1 2 . 1 1 91 91 GLY H H 91 8.490 8.490 8.306 0.184 19751 1076 1 2 . 1 1 92 92 GLY N N 92 107.199 107.199 105.833 1.366 19751 1077 1 2 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.216 -0.550 19751 1078 1 2 . 1 1 92 92 GLY H H 92 8.914 8.914 8.138 0.776 19751 1079 1 2 . 1 1 93 93 ILE N N 93 118.958 118.958 117.582 1.376 19751 1080 1 2 . 1 1 93 93 ILE HA H 93 4.738 4.738 5.013 -0.275 19751 1081 1 2 . 1 1 93 93 ILE C C 93 175.050 175.050 173.509 1.541 19751 1082 1 2 . 1 1 93 93 ILE CA C 93 58.535 58.535 58.610 -0.075 19751 1083 1 2 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.880 -3.771 19751 1084 1 2 . 1 1 93 93 ILE H H 93 7.540 7.540 7.576 -0.036 19751 1085 1 2 . 1 1 94 94 ALA N N 94 131.032 131.032 127.153 3.879 19751 1086 1 2 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.230 -0.502 19751 1087 1 2 . 1 1 94 94 ALA C C 94 174.512 174.512 177.133 -2.621 19751 1088 1 2 . 1 1 94 94 ALA CA C 94 50.438 50.438 49.919 0.519 19751 1089 1 2 . 1 1 94 94 ALA CB C 94 21.812 21.812 20.245 1.567 19751 1090 1 2 . 1 1 94 94 ALA H H 94 9.561 9.561 9.042 0.519 19751 1091 1 2 . 1 1 95 95 LEU N N 95 123.066 123.066 124.553 -1.487 19751 1092 1 2 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.961 0.002 19751 1093 1 2 . 1 1 95 95 LEU C C 95 174.922 174.922 175.958 -1.036 19751 1094 1 2 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.595 -0.080 19751 1095 1 2 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.667 2.538 19751 1096 1 2 . 1 1 95 95 LEU H H 95 8.641 8.641 8.229 0.412 19751 1097 1 2 . 1 1 96 96 LEU N N 96 124.843 124.843 124.595 0.248 19751 1098 1 2 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.110 0.061 19751 1099 1 2 . 1 1 96 96 LEU C C 96 175.059 175.059 177.018 -1.959 19751 1100 1 2 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.270 -0.631 19751 1101 1 2 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.412 0.857 19751 1102 1 2 . 1 1 96 96 LEU H H 96 9.235 9.235 8.958 0.277 19751 1103 1 2 . 1 1 97 97 GLU N N 97 121.306 121.306 120.393 0.913 19751 1104 1 2 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.663 0.196 19751 1105 1 2 . 1 1 97 97 GLU C C 97 175.343 175.343 175.549 -0.206 19751 1106 1 2 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.868 0.223 19751 1107 1 2 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.776 2.639 19751 1108 1 2 . 1 1 97 97 GLU H H 97 9.113 9.113 8.579 0.534 19751 1109 1 2 . 1 1 98 98 ALA N N 98 126.658 126.658 127.985 -1.327 19751 1110 1 2 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.371 0.403 19751 1111 1 2 . 1 1 98 98 ALA C C 98 176.880 176.880 176.817 0.063 19751 1112 1 2 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.408 -0.813 19751 1113 1 2 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.710 1.673 19751 1114 1 2 . 1 1 98 98 ALA H H 98 8.731 8.731 8.506 0.225 19751 1115 1 2 . 1 1 99 99 LYS N N 99 121.674 121.674 123.741 -2.067 19751 1116 1 2 . 1 1 99 99 LYS H H 99 8.636 8.636 8.067 0.569 19751 1117 1 2 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.197 0.265 19751 1118 1 2 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.795 -0.307 19751 1119 1 2 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.488 1.698 19751 1120 1 2 . 1 1 101 101 GLY N N 101 110.695 110.695 113.983 -3.288 19751 1121 1 2 . 1 1 101 101 GLY C C 101 174.676 174.676 174.371 0.305 19751 1122 1 2 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.918 0.265 19751 1123 1 2 . 1 1 101 101 GLY H H 101 8.709 8.709 8.343 0.366 19751 1124 1 2 . 1 1 102 102 THR N N 102 116.771 116.771 119.154 -2.383 19751 1125 1 2 . 1 1 102 102 THR HA H 102 4.134 4.134 4.370 -0.236 19751 1126 1 2 . 1 1 102 102 THR CA C 102 62.998 62.998 62.809 0.189 19751 1127 1 2 . 1 1 102 102 THR CB C 102 69.736 69.736 69.444 0.292 19751 1128 1 2 . 1 1 102 102 THR H H 102 7.652 7.652 7.568 0.084 19751 1129 1 2 . 1 1 103 103 ASP N N 103 125.950 125.950 129.159 -3.209 19751 1130 1 2 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.699 0.005 19751 1131 1 2 . 1 1 103 103 ASP C C 103 175.907 175.907 177.253 -1.346 19751 1132 1 2 . 1 1 103 103 ASP CA C 103 52.747 52.747 54.541 -1.794 19751 1133 1 2 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.482 0.505 19751 1134 1 2 . 1 1 103 103 ASP H H 103 8.849 8.849 8.822 0.027 19751 1135 1 2 . 1 1 104 104 LEU N N 104 127.195 127.195 119.948 7.247 19751 1136 1 2 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.869 0.002 19751 1137 1 2 . 1 1 104 104 LEU C C 104 178.528 178.528 177.960 0.568 19751 1138 1 2 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.099 -0.670 19751 1139 1 2 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.320 0.862 19751 1140 1 2 . 1 1 104 104 LEU H H 104 8.464 8.464 7.881 0.583 19751 1141 1 2 . 1 1 105 105 ASN N N 105 116.748 116.748 117.333 -0.585 19751 1142 1 2 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.304 0.033 19751 1143 1 2 . 1 1 105 105 ASN C C 105 177.999 177.999 176.975 1.024 19751 1144 1 2 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.167 0.375 19751 1145 1 2 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.682 0.543 19751 1146 1 2 . 1 1 105 105 ASN H H 105 8.225 8.225 8.385 -0.160 19751 1147 1 2 . 1 1 106 106 ALA N N 106 123.704 123.704 121.761 1.943 19751 1148 1 2 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.106 -0.020 19751 1149 1 2 . 1 1 106 106 ALA C C 106 181.021 181.021 179.542 1.479 19751 1150 1 2 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.384 0.500 19751 1151 1 2 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.372 -0.389 19751 1152 1 2 . 1 1 106 106 ALA H H 106 7.810 7.810 7.428 0.382 19751 1153 1 2 . 1 1 107 107 ILE N N 107 118.676 118.676 119.039 -0.363 19751 1154 1 2 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.494 0.160 19751 1155 1 2 . 1 1 107 107 ILE C C 107 177.324 177.324 178.242 -0.918 19751 1156 1 2 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.740 -0.905 19751 1157 1 2 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.390 0.217 19751 1158 1 2 . 1 1 107 107 ILE H H 107 7.582 7.582 7.364 0.218 19751 1159 1 2 . 1 1 108 108 ALA N N 108 122.550 122.550 122.233 0.317 19751 1160 1 2 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.903 -0.102 19751 1161 1 2 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.401 0.677 19751 1162 1 2 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.867 0.070 19751 1163 1 2 . 1 1 108 108 ALA H H 108 8.551 8.551 7.715 0.836 19751 1164 1 2 . 1 1 109 109 THR N N 109 113.975 113.975 112.750 1.225 19751 1165 1 2 . 1 1 109 109 THR HA H 109 3.806 3.806 3.993 -0.187 19751 1166 1 2 . 1 1 109 109 THR C C 109 176.632 176.632 176.685 -0.053 19751 1167 1 2 . 1 1 109 109 THR CA C 109 67.362 67.362 66.405 0.957 19751 1168 1 2 . 1 1 109 109 THR CB C 109 68.554 68.554 68.529 0.025 19751 1169 1 2 . 1 1 109 109 THR H H 109 8.197 8.197 7.569 0.628 19751 1170 1 2 . 1 1 110 110 LYS N N 110 123.603 123.603 119.811 3.792 19751 1171 1 2 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.260 -0.183 19751 1172 1 2 . 1 1 110 110 LYS C C 110 179.640 179.640 177.681 1.959 19751 1173 1 2 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.707 1.658 19751 1174 1 2 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.340 -0.269 19751 1175 1 2 . 1 1 110 110 LYS H H 110 7.656 7.656 7.981 -0.325 19751 1176 1 2 . 1 1 111 111 LEU N N 111 120.492 120.492 118.982 1.510 19751 1177 1 2 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.261 -0.404 19751 1178 1 2 . 1 1 111 111 LEU C C 111 179.289 179.289 178.872 0.417 19751 1179 1 2 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.688 0.427 19751 1180 1 2 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.931 -0.816 19751 1181 1 2 . 1 1 111 111 LEU H H 111 8.441 8.441 7.500 0.941 19751 1182 1 2 . 1 1 112 112 LYS N N 112 120.305 120.305 118.402 1.903 19751 1183 1 2 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.223 0.218 19751 1184 1 2 . 1 1 112 112 LYS C C 112 181.574 181.574 178.698 2.876 19751 1185 1 2 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.885 0.727 19751 1186 1 2 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.962 0.331 19751 1187 1 2 . 1 1 112 112 LYS H H 112 8.452 8.452 8.361 0.091 19751 1188 1 2 . 1 1 113 113 SER N N 113 116.992 116.992 114.164 2.828 19751 1189 1 2 . 1 1 113 113 SER HA H 113 4.389 4.389 4.255 0.134 19751 1190 1 2 . 1 1 113 113 SER C C 113 175.200 175.200 175.880 -0.680 19751 1191 1 2 . 1 1 113 113 SER CA C 113 61.260 61.260 60.595 0.665 19751 1192 1 2 . 1 1 113 113 SER CB C 113 62.863 62.863 63.037 -0.174 19751 1193 1 2 . 1 1 113 113 SER H H 113 7.995 7.995 7.804 0.191 19751 1194 1 2 . 1 1 114 114 GLU N N 114 120.677 120.677 118.797 1.880 19751 1195 1 2 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.382 0.049 19751 1196 1 2 . 1 1 114 114 GLU C C 114 176.506 176.506 176.881 -0.375 19751 1197 1 2 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.485 -0.173 19751 1198 1 2 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.947 -1.550 19751 1199 1 2 . 1 1 114 114 GLU H H 114 7.577 7.577 7.853 -0.276 19751 1200 1 2 . 1 1 115 115 GLY N N 115 107.383 107.383 107.926 -0.543 19751 1201 1 2 . 1 1 115 115 GLY C C 115 174.019 174.019 173.557 0.462 19751 1202 1 2 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.726 0.772 19751 1203 1 2 . 1 1 115 115 GLY H H 115 7.947 7.947 7.691 0.256 19751 1204 1 2 . 1 1 116 116 VAL N N 116 121.389 121.389 120.563 0.826 19751 1205 1 2 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.144 -0.012 19751 1206 1 2 . 1 1 116 116 VAL C C 116 175.092 175.092 174.977 0.115 19751 1207 1 2 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.967 0.110 19751 1208 1 2 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.302 0.741 19751 1209 1 2 . 1 1 116 116 VAL H H 116 7.704 7.704 7.488 0.216 19751 1210 1 2 . 1 1 117 117 ASN N N 117 125.670 125.670 127.918 -2.248 19751 1211 1 2 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.739 0.055 19751 1212 1 2 . 1 1 117 117 ASN C C 117 173.847 173.847 174.111 -0.264 19751 1213 1 2 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.344 -0.140 19751 1214 1 2 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.201 -0.200 19751 1215 1 2 . 1 1 117 117 ASN H H 117 9.161 9.161 8.727 0.434 19751 1216 1 2 . 1 1 118 118 VAL N N 118 121.648 121.648 118.704 2.944 19751 1217 1 2 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.039 0.234 19751 1218 1 2 . 1 1 118 118 VAL C C 118 173.553 173.553 174.235 -0.682 19751 1219 1 2 . 1 1 118 118 VAL CA C 118 58.505 58.505 58.657 -0.152 19751 1220 1 2 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.287 -0.198 19751 1221 1 2 . 1 1 118 118 VAL H H 118 7.811 7.811 7.792 0.019 19751 1222 1 2 . 1 1 119 119 GLN N N 119 124.298 124.298 120.411 3.887 19751 1223 1 2 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.720 -0.067 19751 1224 1 2 . 1 1 119 119 GLN C C 119 174.263 174.263 174.114 0.149 19751 1225 1 2 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.145 0.098 19751 1226 1 2 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.331 0.195 19751 1227 1 2 . 1 1 119 119 GLN H H 119 8.746 8.746 8.293 0.453 19751 1228 1 2 . 1 1 120 120 ILE N N 120 122.997 122.997 127.043 -4.046 19751 1229 1 2 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.245 0.203 19751 1230 1 2 . 1 1 120 120 ILE C C 120 175.616 175.616 175.616 0.000 19751 1231 1 2 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.853 1.104 19751 1232 1 2 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.059 3.871 19751 1233 1 2 . 1 1 120 120 ILE H H 120 8.670 8.670 8.599 0.071 19751 1234 1 2 . 1 1 121 121 GLU N N 121 128.460 128.460 128.126 0.334 19751 1235 1 2 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.553 -0.058 19751 1236 1 2 . 1 1 121 121 GLU C C 121 175.490 175.490 174.220 1.270 19751 1237 1 2 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.209 1.440 19751 1238 1 2 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.976 -1.786 19751 1239 1 2 . 1 1 121 121 GLU H H 121 8.641 8.641 8.462 0.179 19751 1240 1 2 . 1 1 122 122 LEU N N 122 126.756 126.756 120.304 6.452 19751 1241 1 2 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.631 -0.052 19751 1242 1 2 . 1 1 122 122 LEU C C 122 177.291 177.291 175.729 1.562 19751 1243 1 2 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.741 0.771 19751 1244 1 2 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.553 -2.131 19751 1245 1 2 . 1 1 122 122 LEU H H 122 8.642 8.642 8.538 0.104 19751 1246 1 2 . 1 1 123 123 SER N N 123 117.273 117.273 117.293 -0.020 19751 1247 1 2 . 1 1 123 123 SER HA H 123 4.430 4.430 4.547 -0.117 19751 1248 1 2 . 1 1 123 123 SER C C 123 175.066 175.066 174.699 0.367 19751 1249 1 2 . 1 1 123 123 SER CA C 123 58.499 58.499 58.190 0.309 19751 1250 1 2 . 1 1 123 123 SER CB C 123 63.946 63.946 62.867 1.079 19751 1251 1 2 . 1 1 123 123 SER H H 123 8.496 8.496 8.586 -0.090 19751 1252 1 2 . 1 1 124 124 GLY N N 124 111.280 111.280 109.593 1.687 19751 1253 1 2 . 1 1 124 124 GLY C C 124 174.099 174.099 173.970 0.129 19751 1254 1 2 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.026 -0.647 19751 1255 1 2 . 1 1 124 124 GLY H H 124 8.566 8.566 7.867 0.699 19751 1256 1 2 . 1 1 125 125 ALA N N 125 123.586 123.586 125.478 -1.892 19751 1257 1 2 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.563 -0.256 19751 1258 1 2 . 1 1 125 125 ALA C C 125 177.915 177.915 176.557 1.358 19751 1259 1 2 . 1 1 125 125 ALA CA C 125 52.617 52.617 51.737 0.880 19751 1260 1 2 . 1 1 125 125 ALA CB C 125 19.308 19.308 17.886 1.422 19751 1261 1 2 . 1 1 125 125 ALA H H 125 8.158 8.158 8.075 0.083 19751 1262 1 2 . 1 1 126 126 GLU N N 126 120.076 120.076 121.890 -1.814 19751 1263 1 2 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.605 -0.254 19751 1264 1 2 . 1 1 126 126 GLU C C 126 176.544 176.544 176.322 0.222 19751 1265 1 2 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.625 1.258 19751 1266 1 2 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.852 -0.241 19751 1267 1 2 . 1 1 126 126 GLU H H 126 8.524 8.524 7.935 0.589 19751 1268 1 2 . 1 1 127 127 GLN N N 127 121.453 121.453 121.685 -0.232 19751 1269 1 2 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.434 -0.127 19751 1270 1 2 . 1 1 127 127 GLN C C 127 175.691 175.691 175.564 0.127 19751 1271 1 2 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.948 -0.368 19751 1272 1 2 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.463 0.240 19751 1273 1 2 . 1 1 127 127 GLN H H 127 8.356 8.356 8.561 -0.205 19751 1274 1 2 . 1 1 128 128 GLN N N 128 122.570 122.570 122.779 -0.209 19751 1275 1 2 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.675 -0.090 19751 1276 1 2 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.777 -0.033 19751 1277 1 2 . 1 1 128 128 GLN CB C 128 28.864 28.864 28.876 -0.012 19751 1278 1 2 . 1 1 128 128 GLN H H 128 8.348 8.348 8.445 -0.097 19751 1279 1 2 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.486 -0.085 19751 1280 1 2 . 1 1 129 129 PRO C C 129 175.988 175.988 177.340 -1.352 19751 1281 1 2 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.522 0.927 19751 1282 1 2 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.359 -0.403 19751 1283 1 3 . 1 1 2 2 GLU N N 2 122.196 122.196 125.867 -3.671 19751 1284 1 3 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.498 -0.263 19751 1285 1 3 . 1 1 2 2 GLU C C 2 175.712 175.712 175.584 0.128 19751 1286 1 3 . 1 1 2 2 GLU CA C 2 56.632 56.632 55.637 0.995 19751 1287 1 3 . 1 1 2 2 GLU CB C 2 29.971 29.971 28.701 1.270 19751 1288 1 3 . 1 1 2 2 GLU H H 2 8.617 8.617 8.739 -0.122 19751 1289 1 3 . 1 1 3 3 SER N N 3 116.623 116.623 115.193 1.430 19751 1290 1 3 . 1 1 3 3 SER HA H 3 4.597 4.597 4.570 0.027 19751 1291 1 3 . 1 1 3 3 SER C C 3 174.294 174.294 174.817 -0.523 19751 1292 1 3 . 1 1 3 3 SER CA C 3 58.386 58.386 57.734 0.652 19751 1293 1 3 . 1 1 3 3 SER CB C 3 64.039 64.039 64.099 -0.060 19751 1294 1 3 . 1 1 3 3 SER H H 3 8.305 8.305 7.795 0.510 19751 1295 1 3 . 1 1 4 4 VAL N N 4 121.759 121.759 120.582 1.177 19751 1296 1 3 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.546 -0.237 19751 1297 1 3 . 1 1 4 4 VAL C C 4 176.177 176.177 175.353 0.824 19751 1298 1 3 . 1 1 4 4 VAL CA C 4 61.709 61.709 60.776 0.932 19751 1299 1 3 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.643 0.712 19751 1300 1 3 . 1 1 4 4 VAL H H 4 8.303 8.303 8.013 0.290 19751 1301 1 3 . 1 1 5 5 THR N N 5 118.335 118.335 114.385 3.950 19751 1302 1 3 . 1 1 5 5 THR HA H 5 4.592 4.592 4.636 -0.044 19751 1303 1 3 . 1 1 5 5 THR C C 5 173.579 173.579 173.272 0.307 19751 1304 1 3 . 1 1 5 5 THR CA C 5 62.022 62.022 61.302 0.720 19751 1305 1 3 . 1 1 5 5 THR CB C 5 70.047 70.047 70.074 -0.027 19751 1306 1 3 . 1 1 5 5 THR H H 5 8.319 8.319 8.019 0.300 19751 1307 1 3 . 1 1 6 6 MET N N 6 123.858 123.858 118.894 4.964 19751 1308 1 3 . 1 1 6 6 MET CA C 6 57.260 57.260 54.818 2.442 19751 1309 1 3 . 1 1 6 6 MET CB C 6 33.780 33.780 34.593 -0.812 19751 1310 1 3 . 1 1 6 6 MET H H 6 8.035 8.035 8.265 -0.230 19751 1311 1 3 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.867 -0.370 19751 1312 1 3 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.214 0.936 19751 1313 1 3 . 1 1 7 7 ASP CB C 7 41.264 41.264 41.720 -0.456 19751 1314 1 3 . 1 1 8 8 GLY N N 8 114.130 114.130 108.477 5.653 19751 1315 1 3 . 1 1 8 8 GLY CA C 8 45.613 45.613 45.838 -0.225 19751 1316 1 3 . 1 1 8 8 GLY H H 8 8.386 8.386 8.467 -0.081 19751 1317 1 3 . 1 1 9 9 LYS N N 9 120.803 120.803 120.561 0.242 19751 1318 1 3 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.777 -0.433 19751 1319 1 3 . 1 1 9 9 LYS H H 9 8.021 8.021 8.292 -0.271 19751 1320 1 3 . 1 1 10 10 GLN N N 10 120.522 120.522 119.679 0.843 19751 1321 1 3 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.700 -0.233 19751 1322 1 3 . 1 1 10 10 GLN CA C 10 55.281 55.281 54.880 0.401 19751 1323 1 3 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.149 0.261 19751 1324 1 3 . 1 1 10 10 GLN H H 10 8.246 8.246 8.837 -0.591 19751 1325 1 3 . 1 1 11 11 TYR N N 11 121.213 121.213 119.999 1.214 19751 1326 1 3 . 1 1 11 11 TYR HA H 11 4.299 4.299 5.529 -1.230 19751 1327 1 3 . 1 1 11 11 TYR CA C 11 56.949 56.949 56.881 0.068 19751 1328 1 3 . 1 1 11 11 TYR CB C 11 43.274 43.274 41.118 2.156 19751 1329 1 3 . 1 1 11 11 TYR H H 11 8.873 8.873 8.730 0.143 19751 1330 1 3 . 1 1 12 12 SER N N 12 117.406 117.406 115.978 1.428 19751 1331 1 3 . 1 1 12 12 SER HA H 12 4.715 4.715 5.043 -0.328 19751 1332 1 3 . 1 1 12 12 SER CA C 12 57.374 57.374 57.809 -0.436 19751 1333 1 3 . 1 1 12 12 SER CB C 12 63.946 63.946 65.210 -1.264 19751 1334 1 3 . 1 1 12 12 SER H H 12 9.047 9.047 9.220 -0.173 19751 1335 1 3 . 1 1 13 13 THR N N 13 112.091 112.091 116.197 -4.106 19751 1336 1 3 . 1 1 13 13 THR HA H 13 4.929 4.929 4.820 0.109 19751 1337 1 3 . 1 1 13 13 THR CA C 13 60.716 60.716 62.018 -1.302 19751 1338 1 3 . 1 1 13 13 THR CB C 13 71.808 71.808 69.835 1.973 19751 1339 1 3 . 1 1 13 13 THR H H 13 8.235 8.235 8.193 0.042 19751 1340 1 3 . 1 1 14 14 ILE N N 14 120.891 120.891 123.407 -2.516 19751 1341 1 3 . 1 1 14 14 ILE H H 14 9.108 9.108 8.442 0.666 19751 1342 1 3 . 1 1 15 15 GLU N N 15 127.598 127.598 126.867 0.731 19751 1343 1 3 . 1 1 15 15 GLU H H 15 8.300 8.300 8.646 -0.346 19751 1344 1 3 . 1 1 16 16 VAL N N 16 126.224 126.224 122.426 3.798 19751 1345 1 3 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.133 0.151 19751 1346 1 3 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.703 0.132 19751 1347 1 3 . 1 1 16 16 VAL CB C 16 34.896 34.896 32.392 2.504 19751 1348 1 3 . 1 1 16 16 VAL H H 16 9.320 9.320 8.522 0.798 19751 1349 1 3 . 1 1 17 17 ASN N N 17 123.394 123.394 126.938 -3.544 19751 1350 1 3 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.404 0.760 19751 1351 1 3 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.550 -0.001 19751 1352 1 3 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.883 -0.668 19751 1353 1 3 . 1 1 17 17 ASN H H 17 9.310 9.310 9.273 0.037 19751 1354 1 3 . 1 1 18 18 GLY H H 18 9.024 9.024 8.102 0.922 19751 1355 1 3 . 1 1 19 19 GLN N N 19 119.994 119.994 120.335 -0.341 19751 1356 1 3 . 1 1 19 19 GLN H H 19 7.990 7.990 7.723 0.267 19751 1357 1 3 . 1 1 20 20 THR N N 20 117.472 117.472 120.565 -3.093 19751 1358 1 3 . 1 1 20 20 THR HA H 20 4.384 4.384 4.537 -0.153 19751 1359 1 3 . 1 1 20 20 THR CA C 20 63.334 63.334 61.712 1.622 19751 1360 1 3 . 1 1 20 20 THR CB C 20 69.401 69.401 69.253 0.148 19751 1361 1 3 . 1 1 20 20 THR H H 20 8.401 8.401 8.277 0.124 19751 1362 1 3 . 1 1 21 21 TYR N N 21 126.847 126.847 125.903 0.944 19751 1363 1 3 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.571 -0.409 19751 1364 1 3 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.703 -0.215 19751 1365 1 3 . 1 1 21 21 TYR CB C 21 43.330 43.330 40.326 3.004 19751 1366 1 3 . 1 1 21 21 TYR H H 21 9.367 9.367 8.072 1.295 19751 1367 1 3 . 1 1 22 22 LEU N N 22 118.537 118.537 121.640 -3.103 19751 1368 1 3 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.916 -0.724 19751 1369 1 3 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.093 2.829 19751 1370 1 3 . 1 1 22 22 LEU CB C 22 43.212 43.212 43.541 -0.329 19751 1371 1 3 . 1 1 22 22 LEU H H 22 9.060 9.060 7.682 1.378 19751 1372 1 3 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.550 -0.159 19751 1373 1 3 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.918 0.416 19751 1374 1 3 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.473 -0.333 19751 1375 1 3 . 1 1 25 25 ASP N N 25 121.554 121.554 120.982 0.572 19751 1376 1 3 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.859 -0.267 19751 1377 1 3 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.822 0.486 19751 1378 1 3 . 1 1 25 25 ASP CB C 25 41.087 41.087 42.459 -1.372 19751 1379 1 3 . 1 1 25 25 ASP H H 25 8.324 8.324 8.591 -0.267 19751 1380 1 3 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.950 -0.211 19751 1381 1 3 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.419 -0.763 19751 1382 1 3 . 1 1 26 26 ASN CB C 26 39.132 39.132 40.558 -1.426 19751 1383 1 3 . 1 1 27 27 GLY N N 27 109.206 109.206 109.015 0.191 19751 1384 1 3 . 1 1 27 27 GLY CA C 27 45.414 45.414 45.436 -0.022 19751 1385 1 3 . 1 1 27 27 GLY H H 27 8.494 8.494 8.082 0.412 19751 1386 1 3 . 1 1 28 28 SER N N 28 116.238 116.238 115.922 0.316 19751 1387 1 3 . 1 1 28 28 SER HA H 28 4.384 4.384 4.545 -0.161 19751 1388 1 3 . 1 1 28 28 SER CA C 28 60.226 60.226 57.792 2.434 19751 1389 1 3 . 1 1 28 28 SER CB C 28 63.818 63.818 65.161 -1.343 19751 1390 1 3 . 1 1 28 28 SER H H 28 8.372 8.372 8.346 0.026 19751 1391 1 3 . 1 1 29 29 LYS N N 29 121.905 121.905 123.014 -1.109 19751 1392 1 3 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.616 -0.285 19751 1393 1 3 . 1 1 29 29 LYS CA C 29 56.353 56.353 56.494 -0.141 19751 1394 1 3 . 1 1 29 29 LYS CB C 29 33.347 33.347 34.113 -0.766 19751 1395 1 3 . 1 1 29 29 LYS H H 29 8.027 8.027 8.487 -0.460 19751 1396 1 3 . 1 1 30 30 LYS N N 30 122.663 122.663 122.183 0.480 19751 1397 1 3 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.442 -0.148 19751 1398 1 3 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.750 0.464 19751 1399 1 3 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.767 -0.596 19751 1400 1 3 . 1 1 30 30 LYS H H 30 8.223 8.223 8.450 -0.227 19751 1401 1 3 . 1 1 31 31 ARG N N 31 123.469 123.469 125.322 -1.853 19751 1402 1 3 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.707 -0.352 19751 1403 1 3 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.636 0.659 19751 1404 1 3 . 1 1 31 31 ARG CB C 31 31.854 31.854 29.422 2.432 19751 1405 1 3 . 1 1 31 31 ARG H H 31 8.404 8.404 8.615 -0.211 19751 1406 1 3 . 1 1 32 32 VAL N N 32 122.456 122.456 121.409 1.047 19751 1407 1 3 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.711 -0.468 19751 1408 1 3 . 1 1 32 32 VAL CA C 32 62.316 62.316 60.950 1.366 19751 1409 1 3 . 1 1 32 32 VAL CB C 32 32.863 32.863 34.111 -1.248 19751 1410 1 3 . 1 1 32 32 VAL H H 32 8.214 8.214 8.189 0.025 19751 1411 1 3 . 1 1 33 33 ALA N N 33 127.685 127.685 124.513 3.172 19751 1412 1 3 . 1 1 33 33 ALA HA H 33 4.302 4.302 5.247 -0.945 19751 1413 1 3 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.272 1.345 19751 1414 1 3 . 1 1 33 33 ALA CB C 33 19.308 19.308 21.622 -2.314 19751 1415 1 3 . 1 1 33 33 ALA H H 33 8.374 8.374 8.619 -0.245 19751 1416 1 3 . 1 1 34 34 ARG N N 34 119.922 119.922 120.758 -0.836 19751 1417 1 3 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.718 -0.395 19751 1418 1 3 . 1 1 34 34 ARG CA C 34 56.820 56.820 56.181 0.639 19751 1419 1 3 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.966 -1.806 19751 1420 1 3 . 1 1 34 34 ARG H H 34 8.652 8.652 9.006 -0.354 19751 1421 1 3 . 1 1 35 35 SER N N 35 116.881 116.881 119.420 -2.539 19751 1422 1 3 . 1 1 35 35 SER HA H 35 4.543 4.543 4.648 -0.105 19751 1423 1 3 . 1 1 35 35 SER CA C 35 58.440 58.440 58.063 0.377 19751 1424 1 3 . 1 1 35 35 SER CB C 35 64.094 64.094 63.780 0.314 19751 1425 1 3 . 1 1 35 35 SER H H 35 8.359 8.359 8.595 -0.236 19751 1426 1 3 . 1 1 36 36 LEU N N 36 124.595 124.595 123.228 1.367 19751 1427 1 3 . 1 1 36 36 LEU HA H 36 4.373 4.373 5.124 -0.751 19751 1428 1 3 . 1 1 36 36 LEU CA C 36 55.594 55.594 54.175 1.419 19751 1429 1 3 . 1 1 36 36 LEU CB C 36 42.278 42.278 44.422 -2.144 19751 1430 1 3 . 1 1 36 36 LEU H H 36 8.546 8.546 8.378 0.168 19751 1431 1 3 . 1 1 37 37 ASP N N 37 119.422 119.422 122.446 -3.024 19751 1432 1 3 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.241 -0.649 19751 1433 1 3 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.960 0.348 19751 1434 1 3 . 1 1 37 37 ASP CB C 37 41.182 41.182 43.415 -2.233 19751 1435 1 3 . 1 1 37 37 ASP H H 37 8.186 8.186 9.162 -0.976 19751 1436 1 3 . 1 1 38 38 SER N N 38 116.413 116.413 115.781 0.632 19751 1437 1 3 . 1 1 38 38 SER HA H 38 4.450 4.450 4.999 -0.549 19751 1438 1 3 . 1 1 38 38 SER CA C 38 58.499 58.499 57.674 0.825 19751 1439 1 3 . 1 1 38 38 SER CB C 38 63.818 63.818 66.706 -2.888 19751 1440 1 3 . 1 1 38 38 SER H H 38 8.177 8.177 8.529 -0.352 19751 1441 1 3 . 1 1 39 39 LYS N N 39 123.095 123.095 123.102 -0.007 19751 1442 1 3 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.788 -0.451 19751 1443 1 3 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.603 1.076 19751 1444 1 3 . 1 1 39 39 LYS CB C 39 32.232 32.232 35.116 -2.884 19751 1445 1 3 . 1 1 39 39 LYS H H 39 8.379 8.379 8.668 -0.289 19751 1446 1 3 . 1 1 40 40 VAL N N 40 122.475 122.475 124.336 -1.861 19751 1447 1 3 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.230 0.158 19751 1448 1 3 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.239 -1.078 19751 1449 1 3 . 1 1 40 40 VAL CB C 40 32.615 32.615 33.378 -0.763 19751 1450 1 3 . 1 1 40 40 VAL H H 40 8.069 8.069 8.572 -0.503 19751 1451 1 3 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.596 -0.175 19751 1452 1 3 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.210 -0.452 19751 1453 1 3 . 1 1 41 41 PRO CB C 41 32.307 32.307 31.491 0.816 19751 1454 1 3 . 1 1 42 42 GLN N N 42 121.230 121.230 121.168 0.062 19751 1455 1 3 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.526 -0.247 19751 1456 1 3 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.462 0.566 19751 1457 1 3 . 1 1 42 42 GLN CB C 42 29.719 29.719 29.982 -0.263 19751 1458 1 3 . 1 1 42 42 GLN H H 42 8.482 8.482 8.657 -0.175 19751 1459 1 3 . 1 1 43 43 GLN N N 43 121.831 121.831 122.123 -0.292 19751 1460 1 3 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.507 -0.118 19751 1461 1 3 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.119 -0.195 19751 1462 1 3 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.738 -1.209 19751 1463 1 3 . 1 1 43 43 GLN H H 43 8.506 8.506 8.646 -0.140 19751 1464 1 3 . 1 1 44 44 THR N N 44 116.251 116.251 119.140 -2.889 19751 1465 1 3 . 1 1 44 44 THR HA H 44 4.302 4.302 4.618 -0.316 19751 1466 1 3 . 1 1 44 44 THR CA C 44 61.922 61.922 62.627 -0.705 19751 1467 1 3 . 1 1 44 44 THR CB C 44 69.811 69.811 68.844 0.967 19751 1468 1 3 . 1 1 44 44 THR H H 44 8.231 8.231 8.390 -0.159 19751 1469 1 3 . 1 1 45 45 LEU N N 45 125.046 125.046 126.421 -1.375 19751 1470 1 3 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.531 -0.033 19751 1471 1 3 . 1 1 45 45 LEU CA C 45 55.107 55.107 55.052 0.055 19751 1472 1 3 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.572 -0.760 19751 1473 1 3 . 1 1 45 45 LEU H H 45 8.257 8.257 8.247 0.010 19751 1474 1 3 . 1 1 46 46 ARG N N 46 120.522 120.522 122.434 -1.912 19751 1475 1 3 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.674 -0.441 19751 1476 1 3 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.579 0.885 19751 1477 1 3 . 1 1 46 46 ARG CB C 46 29.971 29.971 31.402 -1.431 19751 1478 1 3 . 1 1 46 46 ARG H H 46 8.007 8.007 8.416 -0.409 19751 1479 1 3 . 1 1 47 47 ARG N N 47 121.010 121.010 119.677 1.333 19751 1480 1 3 . 1 1 47 47 ARG H H 47 8.324 8.324 8.663 -0.339 19751 1481 1 3 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.922 0.417 19751 1482 1 3 . 1 1 49 49 ASP N N 49 120.513 120.513 121.287 -0.774 19751 1483 1 3 . 1 1 49 49 ASP HA H 49 4.619 4.619 5.090 -0.471 19751 1484 1 3 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.864 0.466 19751 1485 1 3 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.356 -1.194 19751 1486 1 3 . 1 1 49 49 ASP H H 49 8.225 8.225 8.875 -0.650 19751 1487 1 3 . 1 1 50 50 VAL N N 50 119.718 119.718 125.150 -5.432 19751 1488 1 3 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.308 -0.236 19751 1489 1 3 . 1 1 50 50 VAL CA C 50 62.402 62.402 63.069 -0.666 19751 1490 1 3 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.083 -0.289 19751 1491 1 3 . 1 1 50 50 VAL H H 50 8.024 8.024 8.361 -0.337 19751 1492 1 3 . 1 1 51 51 LEU N N 51 125.249 125.249 128.799 -3.550 19751 1493 1 3 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.736 -0.390 19751 1494 1 3 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.469 -0.100 19751 1495 1 3 . 1 1 51 51 LEU CB C 51 42.379 42.379 42.824 -0.445 19751 1496 1 3 . 1 1 51 51 LEU H H 51 8.305 8.305 8.024 0.281 19751 1497 1 3 . 1 1 52 52 MET HA H 52 4.458 4.458 4.856 -0.398 19751 1498 1 3 . 1 1 52 52 MET CA C 52 55.417 55.417 55.313 0.104 19751 1499 1 3 . 1 1 52 52 MET CB C 52 32.264 32.264 34.359 -2.095 19751 1500 1 3 . 1 1 53 53 GLN N N 53 121.447 121.447 123.096 -1.649 19751 1501 1 3 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.030 -0.723 19751 1502 1 3 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.694 0.520 19751 1503 1 3 . 1 1 53 53 GLN CB C 53 29.697 29.697 31.530 -1.833 19751 1504 1 3 . 1 1 53 53 GLN H H 53 8.373 8.373 9.137 -0.764 19751 1505 1 3 . 1 1 54 54 GLY N N 54 110.484 110.484 110.834 -0.350 19751 1506 1 3 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.677 -0.427 19751 1507 1 3 . 1 1 54 54 GLY H H 54 8.456 8.456 8.610 -0.154 19751 1508 1 3 . 1 1 55 55 ALA N N 55 123.673 123.673 123.699 -0.026 19751 1509 1 3 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.648 -0.341 19751 1510 1 3 . 1 1 55 55 ALA C C 55 177.397 177.397 176.145 1.252 19751 1511 1 3 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.415 0.202 19751 1512 1 3 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.015 -0.707 19751 1513 1 3 . 1 1 55 55 ALA H H 55 8.113 8.113 8.253 -0.140 19751 1514 1 3 . 1 1 56 56 ALA N N 56 123.295 123.295 124.787 -1.492 19751 1515 1 3 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.188 -0.885 19751 1516 1 3 . 1 1 56 56 ALA C C 56 177.446 177.446 176.014 1.432 19751 1517 1 3 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.809 0.624 19751 1518 1 3 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.852 -1.544 19751 1519 1 3 . 1 1 56 56 ALA H H 56 8.297 8.297 8.765 -0.468 19751 1520 1 3 . 1 1 57 57 SER N N 57 116.534 116.534 116.579 -0.045 19751 1521 1 3 . 1 1 57 57 SER HA H 57 4.737 4.737 4.880 -0.143 19751 1522 1 3 . 1 1 57 57 SER CA C 57 56.332 56.332 57.444 -1.112 19751 1523 1 3 . 1 1 57 57 SER CB C 57 63.567 63.567 63.309 0.258 19751 1524 1 3 . 1 1 57 57 SER H H 57 8.258 8.258 8.764 -0.506 19751 1525 1 3 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.829 -0.427 19751 1526 1 3 . 1 1 58 58 PRO C C 58 176.874 176.874 175.780 1.094 19751 1527 1 3 . 1 1 58 58 PRO CA C 58 63.357 63.357 62.936 0.421 19751 1528 1 3 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.588 -0.553 19751 1529 1 3 . 1 1 59 59 GLU N N 59 120.545 120.545 117.365 3.180 19751 1530 1 3 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.760 -0.524 19751 1531 1 3 . 1 1 59 59 GLU C C 59 176.383 176.383 174.423 1.960 19751 1532 1 3 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.719 0.856 19751 1533 1 3 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.306 -1.204 19751 1534 1 3 . 1 1 59 59 GLU H H 59 8.556 8.556 8.648 -0.092 19751 1535 1 3 . 1 1 60 60 LEU N N 60 122.946 122.946 120.532 2.414 19751 1536 1 3 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.721 -0.277 19751 1537 1 3 . 1 1 60 60 LEU C C 60 177.201 177.201 174.649 2.552 19751 1538 1 3 . 1 1 60 60 LEU CA C 60 55.120 55.120 55.094 0.026 19751 1539 1 3 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.563 -1.275 19751 1540 1 3 . 1 1 60 60 LEU H H 60 8.205 8.205 8.295 -0.090 19751 1541 1 3 . 1 1 61 61 THR N N 61 115.168 115.168 117.152 -1.984 19751 1542 1 3 . 1 1 61 61 THR HA H 61 4.380 4.380 4.558 -0.178 19751 1543 1 3 . 1 1 61 61 THR C C 61 174.201 174.201 172.734 1.467 19751 1544 1 3 . 1 1 61 61 THR CA C 61 61.792 61.792 62.348 -0.556 19751 1545 1 3 . 1 1 61 61 THR CB C 61 69.770 69.770 69.251 0.519 19751 1546 1 3 . 1 1 61 61 THR H H 61 8.149 8.149 8.302 -0.153 19751 1547 1 3 . 1 1 62 62 VAL N N 62 121.650 121.650 127.066 -5.416 19751 1548 1 3 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.456 -0.137 19751 1549 1 3 . 1 1 62 62 VAL C C 62 175.921 175.921 174.154 1.767 19751 1550 1 3 . 1 1 62 62 VAL CA C 62 61.709 61.709 60.931 0.778 19751 1551 1 3 . 1 1 62 62 VAL CB C 62 33.355 33.355 35.529 -2.174 19751 1552 1 3 . 1 1 62 62 VAL H H 62 8.091 8.091 8.190 -0.099 19751 1553 1 3 . 1 1 63 63 SER N N 63 120.076 120.076 118.976 1.100 19751 1554 1 3 . 1 1 63 63 SER HA H 63 4.542 4.542 4.668 -0.126 19751 1555 1 3 . 1 1 63 63 SER C C 63 174.254 174.254 173.327 0.927 19751 1556 1 3 . 1 1 63 63 SER CA C 63 58.375 58.375 57.721 0.654 19751 1557 1 3 . 1 1 63 63 SER CB C 63 64.196 64.196 64.942 -0.746 19751 1558 1 3 . 1 1 63 63 SER H H 63 8.524 8.524 8.472 0.052 19751 1559 1 3 . 1 1 64 64 GLY N N 64 109.912 109.912 110.715 -0.803 19751 1560 1 3 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.883 -0.499 19751 1561 1 3 . 1 1 64 64 GLY H H 64 8.255 8.255 8.393 -0.138 19751 1562 1 3 . 1 1 65 65 THR N N 65 114.200 114.200 115.781 -1.581 19751 1563 1 3 . 1 1 65 65 THR HA H 65 4.929 4.929 5.169 -0.240 19751 1564 1 3 . 1 1 65 65 THR CA C 65 60.826 60.826 61.405 -0.579 19751 1565 1 3 . 1 1 65 65 THR CB C 65 71.805 71.805 72.572 -0.767 19751 1566 1 3 . 1 1 65 65 THR H H 65 8.468 8.468 8.412 0.056 19751 1567 1 3 . 1 1 66 66 LEU N N 66 122.673 122.673 123.295 -0.622 19751 1568 1 3 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.799 0.122 19751 1569 1 3 . 1 1 66 66 LEU C C 66 174.364 174.364 174.602 -0.238 19751 1570 1 3 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.554 -1.144 19751 1571 1 3 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.463 -1.013 19751 1572 1 3 . 1 1 66 66 LEU H H 66 9.054 9.054 8.647 0.407 19751 1573 1 3 . 1 1 67 67 LEU N N 67 124.219 124.219 126.592 -2.373 19751 1574 1 3 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.811 0.397 19751 1575 1 3 . 1 1 67 67 LEU C C 67 177.107 177.107 175.954 1.153 19751 1576 1 3 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.395 -0.622 19751 1577 1 3 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.245 0.961 19751 1578 1 3 . 1 1 67 67 LEU H H 67 8.927 8.927 9.008 -0.081 19751 1579 1 3 . 1 1 68 68 VAL N N 68 121.113 121.113 125.904 -4.791 19751 1580 1 3 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.273 0.583 19751 1581 1 3 . 1 1 68 68 VAL C C 68 174.079 174.079 174.185 -0.106 19751 1582 1 3 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.227 -0.369 19751 1583 1 3 . 1 1 68 68 VAL CB C 68 35.015 35.015 35.161 -0.146 19751 1584 1 3 . 1 1 68 68 VAL H H 68 9.345 9.345 8.825 0.520 19751 1585 1 3 . 1 1 69 69 GLU N N 69 127.682 127.682 130.689 -3.007 19751 1586 1 3 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.655 0.244 19751 1587 1 3 . 1 1 69 69 GLU C C 69 173.485 173.485 174.966 -1.481 19751 1588 1 3 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.270 -0.923 19751 1589 1 3 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.997 -0.025 19751 1590 1 3 . 1 1 69 69 GLU H H 69 8.110 8.110 8.578 -0.468 19751 1591 1 3 . 1 1 70 70 ALA N N 70 130.042 130.042 128.301 1.741 19751 1592 1 3 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.441 0.123 19751 1593 1 3 . 1 1 70 70 ALA C C 70 174.853 174.853 174.904 -0.051 19751 1594 1 3 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.482 0.222 19751 1595 1 3 . 1 1 70 70 ALA CB C 70 21.431 21.431 20.493 0.938 19751 1596 1 3 . 1 1 70 70 ALA H H 70 7.991 7.991 7.665 0.326 19751 1597 1 3 . 1 1 71 71 ASP N N 71 117.021 117.021 118.197 -1.176 19751 1598 1 3 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.676 -0.096 19751 1599 1 3 . 1 1 71 71 ASP C C 71 175.160 175.160 176.960 -1.800 19751 1600 1 3 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.561 -0.518 19751 1601 1 3 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.108 -1.186 19751 1602 1 3 . 1 1 71 71 ASP H H 71 8.025 8.025 8.287 -0.262 19751 1603 1 3 . 1 1 72 72 ASP N N 72 119.867 119.867 120.830 -0.963 19751 1604 1 3 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.592 0.531 19751 1605 1 3 . 1 1 72 72 ASP C C 72 177.598 177.598 177.289 0.309 19751 1606 1 3 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.323 1.134 19751 1607 1 3 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.378 -0.389 19751 1608 1 3 . 1 1 72 72 ASP H H 72 8.644 8.644 8.529 0.115 19751 1609 1 3 . 1 1 73 73 ALA N N 73 120.735 120.735 121.954 -1.219 19751 1610 1 3 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.056 -0.104 19751 1611 1 3 . 1 1 73 73 ALA C C 73 181.711 181.711 179.981 1.730 19751 1612 1 3 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.840 0.517 19751 1613 1 3 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.343 -0.522 19751 1614 1 3 . 1 1 73 73 ALA H H 73 8.212 8.212 8.163 0.049 19751 1615 1 3 . 1 1 74 74 SER N N 74 116.971 116.971 113.377 3.594 19751 1616 1 3 . 1 1 74 74 SER HA H 74 4.207 4.207 4.240 -0.033 19751 1617 1 3 . 1 1 74 74 SER C C 74 176.918 176.918 176.318 0.600 19751 1618 1 3 . 1 1 74 74 SER CA C 74 61.632 61.632 59.915 1.717 19751 1619 1 3 . 1 1 74 74 SER CB C 74 62.233 62.233 62.778 -0.545 19751 1620 1 3 . 1 1 74 74 SER H H 74 8.376 8.376 8.024 0.352 19751 1621 1 3 . 1 1 75 75 ALA N N 75 124.844 124.844 124.919 -0.075 19751 1622 1 3 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.774 0.048 19751 1623 1 3 . 1 1 75 75 ALA C C 75 179.160 179.160 179.084 0.076 19751 1624 1 3 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.340 -0.039 19751 1625 1 3 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.765 0.747 19751 1626 1 3 . 1 1 75 75 ALA H H 75 9.121 9.121 7.476 1.645 19751 1627 1 3 . 1 1 76 76 LYS N N 76 117.821 117.821 117.882 -0.061 19751 1628 1 3 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.973 -0.168 19751 1629 1 3 . 1 1 76 76 LYS C C 76 179.175 179.175 178.622 0.553 19751 1630 1 3 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.301 0.837 19751 1631 1 3 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.811 0.551 19751 1632 1 3 . 1 1 76 76 LYS H H 76 8.306 8.306 7.744 0.562 19751 1633 1 3 . 1 1 77 77 ALA N N 77 122.703 122.703 121.905 0.798 19751 1634 1 3 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.112 0.078 19751 1635 1 3 . 1 1 77 77 ALA C C 77 180.868 180.868 179.881 0.987 19751 1636 1 3 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.653 0.499 19751 1637 1 3 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.245 -0.413 19751 1638 1 3 . 1 1 77 77 ALA H H 77 7.584 7.584 7.407 0.177 19751 1639 1 3 . 1 1 78 78 LEU N N 78 120.574 120.574 118.477 2.097 19751 1640 1 3 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.042 -0.006 19751 1641 1 3 . 1 1 78 78 LEU C C 78 178.870 178.870 179.194 -0.324 19751 1642 1 3 . 1 1 78 78 LEU CA C 78 57.888 57.888 57.064 0.824 19751 1643 1 3 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.890 0.589 19751 1644 1 3 . 1 1 78 78 LEU H H 78 8.338 8.338 7.975 0.363 19751 1645 1 3 . 1 1 79 79 ALA N N 79 121.156 121.156 121.582 -0.426 19751 1646 1 3 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.119 -0.224 19751 1647 1 3 . 1 1 79 79 ALA C C 79 179.393 179.393 179.000 0.393 19751 1648 1 3 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.270 0.490 19751 1649 1 3 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.395 -1.139 19751 1650 1 3 . 1 1 79 79 ALA H H 79 8.491 8.491 8.697 -0.206 19751 1651 1 3 . 1 1 80 80 THR N N 80 114.097 114.097 112.251 1.846 19751 1652 1 3 . 1 1 80 80 THR HA H 80 4.048 4.048 4.267 -0.219 19751 1653 1 3 . 1 1 80 80 THR C C 80 177.034 177.034 176.333 0.701 19751 1654 1 3 . 1 1 80 80 THR CA C 80 66.139 66.139 65.562 0.577 19751 1655 1 3 . 1 1 80 80 THR CB C 80 69.243 69.243 68.958 0.285 19751 1656 1 3 . 1 1 80 80 THR H H 80 8.111 8.111 7.759 0.352 19751 1657 1 3 . 1 1 81 81 ARG N N 81 121.321 121.321 120.262 1.059 19751 1658 1 3 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.167 -0.224 19751 1659 1 3 . 1 1 81 81 ARG C C 81 177.546 177.546 178.058 -0.512 19751 1660 1 3 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.474 0.566 19751 1661 1 3 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.343 0.380 19751 1662 1 3 . 1 1 81 81 ARG H H 81 7.893 7.893 7.621 0.272 19751 1663 1 3 . 1 1 82 82 HIS N N 82 113.320 113.320 115.061 -1.741 19751 1664 1 3 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.504 0.205 19751 1665 1 3 . 1 1 82 82 HIS C C 82 174.918 174.918 175.878 -0.960 19751 1666 1 3 . 1 1 82 82 HIS CA C 82 56.162 56.162 56.548 -0.386 19751 1667 1 3 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.386 1.122 19751 1668 1 3 . 1 1 82 82 HIS H H 82 7.684 7.684 7.906 -0.222 19751 1669 1 3 . 1 1 83 83 GLY N N 83 109.763 109.763 106.127 3.636 19751 1670 1 3 . 1 1 83 83 GLY C C 83 174.866 174.866 174.369 0.497 19751 1671 1 3 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.908 2.369 19751 1672 1 3 . 1 1 83 83 GLY H H 83 7.707 7.707 7.723 -0.016 19751 1673 1 3 . 1 1 84 84 LEU N N 84 119.225 119.225 119.896 -0.671 19751 1674 1 3 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.520 0.314 19751 1675 1 3 . 1 1 84 84 LEU C C 84 174.880 174.880 176.546 -1.666 19751 1676 1 3 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.124 -1.255 19751 1677 1 3 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.667 2.416 19751 1678 1 3 . 1 1 84 84 LEU H H 84 8.672 8.672 7.292 1.380 19751 1679 1 3 . 1 1 85 85 ASN N N 85 117.042 117.042 116.926 0.116 19751 1680 1 3 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.878 0.290 19751 1681 1 3 . 1 1 85 85 ASN C C 85 175.212 175.212 174.020 1.192 19751 1682 1 3 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.389 -0.530 19751 1683 1 3 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.894 -0.012 19751 1684 1 3 . 1 1 85 85 ASN H H 85 8.955 8.955 8.410 0.545 19751 1685 1 3 . 1 1 86 86 PHE N N 86 126.957 126.957 126.924 0.033 19751 1686 1 3 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.463 -0.022 19751 1687 1 3 . 1 1 86 86 PHE C C 86 173.744 173.744 174.846 -1.102 19751 1688 1 3 . 1 1 86 86 PHE CA C 86 58.606 58.606 58.271 0.335 19751 1689 1 3 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.828 0.236 19751 1690 1 3 . 1 1 86 86 PHE H H 86 9.221 9.221 8.942 0.279 19751 1691 1 3 . 1 1 87 87 LYS N N 87 129.305 129.305 128.771 0.534 19751 1692 1 3 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.085 0.266 19751 1693 1 3 . 1 1 87 87 LYS C C 87 175.203 175.203 175.705 -0.502 19751 1694 1 3 . 1 1 87 87 LYS CA C 87 56.697 56.697 57.016 -0.319 19751 1695 1 3 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.754 -0.180 19751 1696 1 3 . 1 1 87 87 LYS H H 87 8.397 8.397 8.718 -0.321 19751 1697 1 3 . 1 1 88 88 GLN N N 88 110.785 110.785 114.789 -4.004 19751 1698 1 3 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.274 0.117 19751 1699 1 3 . 1 1 88 88 GLN C C 88 185.308 185.308 173.511 11.797 19751 1700 1 3 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.649 0.104 19751 1701 1 3 . 1 1 88 88 GLN H H 88 6.855 6.855 7.650 -0.795 19751 1702 1 3 . 1 1 89 89 SER N N 89 113.927 113.927 114.424 -0.497 19751 1703 1 3 . 1 1 89 89 SER HA H 89 5.298 5.298 5.436 -0.138 19751 1704 1 3 . 1 1 89 89 SER C C 89 173.757 173.757 174.156 -0.399 19751 1705 1 3 . 1 1 89 89 SER CA C 89 56.776 56.776 56.438 0.338 19751 1706 1 3 . 1 1 89 89 SER CB C 89 67.417 67.417 66.142 1.275 19751 1707 1 3 . 1 1 89 89 SER H H 89 8.718 8.718 8.467 0.251 19751 1708 1 3 . 1 1 90 90 SER N N 90 114.246 114.246 117.507 -3.261 19751 1709 1 3 . 1 1 90 90 SER HA H 90 4.597 4.597 4.707 -0.110 19751 1710 1 3 . 1 1 90 90 SER CA C 90 58.356 58.356 58.052 0.304 19751 1711 1 3 . 1 1 90 90 SER CB C 90 63.952 63.952 62.989 0.963 19751 1712 1 3 . 1 1 90 90 SER H H 90 8.479 8.479 8.723 -0.244 19751 1713 1 3 . 1 1 91 91 GLY N N 91 116.101 116.101 109.736 6.365 19751 1714 1 3 . 1 1 91 91 GLY C C 91 174.853 174.853 175.009 -0.156 19751 1715 1 3 . 1 1 91 91 GLY CA C 91 47.155 47.155 44.832 2.323 19751 1716 1 3 . 1 1 91 91 GLY H H 91 8.490 8.490 8.268 0.222 19751 1717 1 3 . 1 1 92 92 GLY N N 92 107.199 107.199 108.247 -1.048 19751 1718 1 3 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.162 -0.496 19751 1719 1 3 . 1 1 92 92 GLY H H 92 8.914 8.914 8.195 0.719 19751 1720 1 3 . 1 1 93 93 ILE N N 93 118.958 118.958 115.268 3.690 19751 1721 1 3 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.975 -0.237 19751 1722 1 3 . 1 1 93 93 ILE C C 93 175.050 175.050 173.366 1.684 19751 1723 1 3 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.769 -1.234 19751 1724 1 3 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.151 -3.042 19751 1725 1 3 . 1 1 93 93 ILE H H 93 7.540 7.540 7.541 -0.001 19751 1726 1 3 . 1 1 94 94 ALA N N 94 131.032 131.032 128.369 2.663 19751 1727 1 3 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.333 -0.605 19751 1728 1 3 . 1 1 94 94 ALA C C 94 174.512 174.512 177.337 -2.825 19751 1729 1 3 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.053 0.384 19751 1730 1 3 . 1 1 94 94 ALA CB C 94 21.812 21.812 20.445 1.367 19751 1731 1 3 . 1 1 94 94 ALA H H 94 9.561 9.561 9.180 0.381 19751 1732 1 3 . 1 1 95 95 LEU N N 95 123.066 123.066 124.079 -1.013 19751 1733 1 3 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.770 0.193 19751 1734 1 3 . 1 1 95 95 LEU C C 95 174.922 174.922 175.864 -0.942 19751 1735 1 3 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.314 0.201 19751 1736 1 3 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.423 2.782 19751 1737 1 3 . 1 1 95 95 LEU H H 95 8.641 8.641 8.368 0.273 19751 1738 1 3 . 1 1 96 96 LEU N N 96 124.843 124.843 124.641 0.202 19751 1739 1 3 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.913 0.258 19751 1740 1 3 . 1 1 96 96 LEU C C 96 175.059 175.059 177.073 -2.014 19751 1741 1 3 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.815 -1.176 19751 1742 1 3 . 1 1 96 96 LEU CB C 96 44.269 44.269 42.922 1.347 19751 1743 1 3 . 1 1 96 96 LEU H H 96 9.235 9.235 8.316 0.919 19751 1744 1 3 . 1 1 97 97 GLU N N 97 121.306 121.306 120.528 0.778 19751 1745 1 3 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.687 0.172 19751 1746 1 3 . 1 1 97 97 GLU C C 97 175.343 175.343 175.585 -0.242 19751 1747 1 3 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.857 0.234 19751 1748 1 3 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.805 2.610 19751 1749 1 3 . 1 1 97 97 GLU H H 97 9.113 9.113 8.522 0.591 19751 1750 1 3 . 1 1 98 98 ALA N N 98 126.658 126.658 127.943 -1.285 19751 1751 1 3 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.379 0.395 19751 1752 1 3 . 1 1 98 98 ALA C C 98 176.880 176.880 176.802 0.078 19751 1753 1 3 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.393 -0.798 19751 1754 1 3 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.794 1.589 19751 1755 1 3 . 1 1 98 98 ALA H H 98 8.731 8.731 8.600 0.131 19751 1756 1 3 . 1 1 99 99 LYS N N 99 121.674 121.674 123.021 -1.347 19751 1757 1 3 . 1 1 99 99 LYS H H 99 8.636 8.636 8.169 0.467 19751 1758 1 3 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.197 0.265 19751 1759 1 3 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.402 0.086 19751 1760 1 3 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.889 1.297 19751 1761 1 3 . 1 1 101 101 GLY N N 101 110.695 110.695 114.213 -3.518 19751 1762 1 3 . 1 1 101 101 GLY C C 101 174.676 174.676 174.274 0.402 19751 1763 1 3 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.836 0.347 19751 1764 1 3 . 1 1 101 101 GLY H H 101 8.709 8.709 8.503 0.206 19751 1765 1 3 . 1 1 102 102 THR N N 102 116.771 116.771 118.470 -1.699 19751 1766 1 3 . 1 1 102 102 THR HA H 102 4.134 4.134 4.382 -0.248 19751 1767 1 3 . 1 1 102 102 THR CA C 102 62.998 62.998 61.959 1.039 19751 1768 1 3 . 1 1 102 102 THR CB C 102 69.736 69.736 69.672 0.064 19751 1769 1 3 . 1 1 102 102 THR H H 102 7.652 7.652 7.566 0.086 19751 1770 1 3 . 1 1 103 103 ASP N N 103 125.950 125.950 128.650 -2.700 19751 1771 1 3 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.752 -0.048 19751 1772 1 3 . 1 1 103 103 ASP C C 103 175.907 175.907 177.333 -1.426 19751 1773 1 3 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.948 -1.201 19751 1774 1 3 . 1 1 103 103 ASP CB C 103 39.987 39.987 38.972 1.015 19751 1775 1 3 . 1 1 103 103 ASP H H 103 8.849 8.849 8.804 0.045 19751 1776 1 3 . 1 1 104 104 LEU N N 104 127.195 127.195 119.662 7.533 19751 1777 1 3 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.867 0.004 19751 1778 1 3 . 1 1 104 104 LEU C C 104 178.528 178.528 178.102 0.426 19751 1779 1 3 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.279 -0.851 19751 1780 1 3 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.266 0.916 19751 1781 1 3 . 1 1 104 104 LEU H H 104 8.464 8.464 7.727 0.737 19751 1782 1 3 . 1 1 105 105 ASN N N 105 116.748 116.748 117.261 -0.513 19751 1783 1 3 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.304 0.033 19751 1784 1 3 . 1 1 105 105 ASN C C 105 177.999 177.999 176.997 1.002 19751 1785 1 3 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.056 0.486 19751 1786 1 3 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.568 0.657 19751 1787 1 3 . 1 1 105 105 ASN H H 105 8.225 8.225 8.507 -0.282 19751 1788 1 3 . 1 1 106 106 ALA N N 106 123.704 123.704 121.513 2.191 19751 1789 1 3 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.137 -0.051 19751 1790 1 3 . 1 1 106 106 ALA C C 106 181.021 181.021 179.244 1.777 19751 1791 1 3 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.547 0.337 19751 1792 1 3 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.421 -0.438 19751 1793 1 3 . 1 1 106 106 ALA H H 106 7.810 7.810 7.411 0.399 19751 1794 1 3 . 1 1 107 107 ILE N N 107 118.676 118.676 119.087 -0.411 19751 1795 1 3 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.551 0.103 19751 1796 1 3 . 1 1 107 107 ILE C C 107 177.324 177.324 178.195 -0.871 19751 1797 1 3 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.238 -0.403 19751 1798 1 3 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.371 0.235 19751 1799 1 3 . 1 1 107 107 ILE H H 107 7.582 7.582 7.071 0.511 19751 1800 1 3 . 1 1 108 108 ALA N N 108 122.550 122.550 122.348 0.202 19751 1801 1 3 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.906 -0.105 19751 1802 1 3 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.514 0.564 19751 1803 1 3 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.893 0.044 19751 1804 1 3 . 1 1 108 108 ALA H H 108 8.551 8.551 7.798 0.753 19751 1805 1 3 . 1 1 109 109 THR N N 109 113.975 113.975 112.719 1.256 19751 1806 1 3 . 1 1 109 109 THR HA H 109 3.806 3.806 4.002 -0.196 19751 1807 1 3 . 1 1 109 109 THR C C 109 176.632 176.632 176.743 -0.111 19751 1808 1 3 . 1 1 109 109 THR CA C 109 67.362 67.362 66.099 1.263 19751 1809 1 3 . 1 1 109 109 THR CB C 109 68.554 68.554 68.414 0.140 19751 1810 1 3 . 1 1 109 109 THR H H 109 8.197 8.197 7.614 0.583 19751 1811 1 3 . 1 1 110 110 LYS N N 110 123.603 123.603 121.166 2.437 19751 1812 1 3 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.266 -0.189 19751 1813 1 3 . 1 1 110 110 LYS C C 110 179.640 179.640 178.793 0.847 19751 1814 1 3 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.857 1.508 19751 1815 1 3 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.107 -0.036 19751 1816 1 3 . 1 1 110 110 LYS H H 110 7.656 7.656 7.943 -0.287 19751 1817 1 3 . 1 1 111 111 LEU N N 111 120.492 120.492 120.146 0.346 19751 1818 1 3 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.044 -0.187 19751 1819 1 3 . 1 1 111 111 LEU C C 111 179.289 179.289 179.393 -0.104 19751 1820 1 3 . 1 1 111 111 LEU CA C 111 58.115 58.115 58.035 0.080 19751 1821 1 3 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.495 -0.380 19751 1822 1 3 . 1 1 111 111 LEU H H 111 8.441 8.441 7.610 0.831 19751 1823 1 3 . 1 1 112 112 LYS N N 112 120.305 120.305 117.537 2.768 19751 1824 1 3 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.236 0.205 19751 1825 1 3 . 1 1 112 112 LYS C C 112 181.574 181.574 178.754 2.820 19751 1826 1 3 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.870 0.741 19751 1827 1 3 . 1 1 112 112 LYS CB C 112 32.293 32.293 32.098 0.195 19751 1828 1 3 . 1 1 112 112 LYS H H 112 8.452 8.452 8.456 -0.004 19751 1829 1 3 . 1 1 113 113 SER N N 113 116.992 116.992 114.213 2.779 19751 1830 1 3 . 1 1 113 113 SER HA H 113 4.389 4.389 4.261 0.128 19751 1831 1 3 . 1 1 113 113 SER C C 113 175.200 175.200 175.758 -0.558 19751 1832 1 3 . 1 1 113 113 SER CA C 113 61.260 61.260 60.845 0.415 19751 1833 1 3 . 1 1 113 113 SER CB C 113 62.863 62.863 63.063 -0.200 19751 1834 1 3 . 1 1 113 113 SER H H 113 7.995 7.995 7.718 0.277 19751 1835 1 3 . 1 1 114 114 GLU N N 114 120.677 120.677 119.030 1.647 19751 1836 1 3 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.360 0.071 19751 1837 1 3 . 1 1 114 114 GLU C C 114 176.506 176.506 176.884 -0.378 19751 1838 1 3 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.417 -0.105 19751 1839 1 3 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.792 -1.395 19751 1840 1 3 . 1 1 114 114 GLU H H 114 7.577 7.577 7.653 -0.076 19751 1841 1 3 . 1 1 115 115 GLY N N 115 107.383 107.383 107.554 -0.171 19751 1842 1 3 . 1 1 115 115 GLY C C 115 174.019 174.019 173.609 0.410 19751 1843 1 3 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.776 0.722 19751 1844 1 3 . 1 1 115 115 GLY H H 115 7.947 7.947 7.730 0.217 19751 1845 1 3 . 1 1 116 116 VAL N N 116 121.389 121.389 120.960 0.429 19751 1846 1 3 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.202 -0.070 19751 1847 1 3 . 1 1 116 116 VAL C C 116 175.092 175.092 174.899 0.193 19751 1848 1 3 . 1 1 116 116 VAL CA C 116 61.077 61.077 59.803 1.274 19751 1849 1 3 . 1 1 116 116 VAL CB C 116 33.043 33.043 31.738 1.305 19751 1850 1 3 . 1 1 116 116 VAL H H 116 7.704 7.704 7.624 0.080 19751 1851 1 3 . 1 1 117 117 ASN N N 117 125.670 125.670 127.323 -1.653 19751 1852 1 3 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.732 0.062 19751 1853 1 3 . 1 1 117 117 ASN C C 117 173.847 173.847 173.972 -0.125 19751 1854 1 3 . 1 1 117 117 ASN CA C 117 53.204 53.204 54.103 -0.899 19751 1855 1 3 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.851 -0.850 19751 1856 1 3 . 1 1 117 117 ASN H H 117 9.161 9.161 8.681 0.480 19751 1857 1 3 . 1 1 118 118 VAL N N 118 121.648 121.648 118.080 3.568 19751 1858 1 3 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.061 0.212 19751 1859 1 3 . 1 1 118 118 VAL C C 118 173.553 173.553 174.292 -0.739 19751 1860 1 3 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.247 -0.742 19751 1861 1 3 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.936 -0.847 19751 1862 1 3 . 1 1 118 118 VAL H H 118 7.811 7.811 7.773 0.038 19751 1863 1 3 . 1 1 119 119 GLN N N 119 124.298 124.298 121.314 2.984 19751 1864 1 3 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.683 -0.030 19751 1865 1 3 . 1 1 119 119 GLN C C 119 174.263 174.263 174.699 -0.436 19751 1866 1 3 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.241 0.002 19751 1867 1 3 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.660 -0.134 19751 1868 1 3 . 1 1 119 119 GLN H H 119 8.746 8.746 8.289 0.457 19751 1869 1 3 . 1 1 120 120 ILE N N 120 122.997 122.997 127.127 -4.130 19751 1870 1 3 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.154 0.294 19751 1871 1 3 . 1 1 120 120 ILE C C 120 175.616 175.616 176.102 -0.486 19751 1872 1 3 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.445 0.512 19751 1873 1 3 . 1 1 120 120 ILE CB C 120 39.930 39.930 35.963 3.967 19751 1874 1 3 . 1 1 120 120 ILE H H 120 8.670 8.670 8.692 -0.022 19751 1875 1 3 . 1 1 121 121 GLU N N 121 128.460 128.460 127.987 0.473 19751 1876 1 3 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.621 -0.126 19751 1877 1 3 . 1 1 121 121 GLU C C 121 175.490 175.490 174.561 0.929 19751 1878 1 3 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.545 1.104 19751 1879 1 3 . 1 1 121 121 GLU CB C 121 31.190 31.190 33.162 -1.972 19751 1880 1 3 . 1 1 121 121 GLU H H 121 8.641 8.641 8.061 0.580 19751 1881 1 3 . 1 1 122 122 LEU N N 122 126.756 126.756 119.599 7.157 19751 1882 1 3 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.703 -0.124 19751 1883 1 3 . 1 1 122 122 LEU C C 122 177.291 177.291 176.191 1.100 19751 1884 1 3 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.932 0.580 19751 1885 1 3 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.778 -2.356 19751 1886 1 3 . 1 1 122 122 LEU H H 122 8.642 8.642 8.475 0.167 19751 1887 1 3 . 1 1 123 123 SER N N 123 117.273 117.273 114.736 2.537 19751 1888 1 3 . 1 1 123 123 SER HA H 123 4.430 4.430 4.559 -0.129 19751 1889 1 3 . 1 1 123 123 SER C C 123 175.066 175.066 174.289 0.777 19751 1890 1 3 . 1 1 123 123 SER CA C 123 58.499 58.499 58.043 0.456 19751 1891 1 3 . 1 1 123 123 SER CB C 123 63.946 63.946 62.829 1.117 19751 1892 1 3 . 1 1 123 123 SER H H 123 8.496 8.496 8.941 -0.445 19751 1893 1 3 . 1 1 124 124 GLY N N 124 111.280 111.280 108.176 3.104 19751 1894 1 3 . 1 1 124 124 GLY C C 124 174.099 174.099 173.602 0.497 19751 1895 1 3 . 1 1 124 124 GLY CA C 124 45.379 45.379 45.413 -0.033 19751 1896 1 3 . 1 1 124 124 GLY H H 124 8.566 8.566 8.034 0.532 19751 1897 1 3 . 1 1 125 125 ALA N N 125 123.586 123.586 122.105 1.481 19751 1898 1 3 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.919 -0.612 19751 1899 1 3 . 1 1 125 125 ALA C C 125 177.915 177.915 177.814 0.101 19751 1900 1 3 . 1 1 125 125 ALA CA C 125 52.617 52.617 52.474 0.143 19751 1901 1 3 . 1 1 125 125 ALA CB C 125 19.308 19.308 19.412 -0.104 19751 1902 1 3 . 1 1 125 125 ALA H H 125 8.158 8.158 8.326 -0.169 19751 1903 1 3 . 1 1 126 126 GLU N N 126 120.076 120.076 118.781 1.295 19751 1904 1 3 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.512 -0.161 19751 1905 1 3 . 1 1 126 126 GLU C C 126 176.544 176.544 175.196 1.348 19751 1906 1 3 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.514 1.369 19751 1907 1 3 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.869 -0.259 19751 1908 1 3 . 1 1 126 126 GLU H H 126 8.524 8.524 7.927 0.597 19751 1909 1 3 . 1 1 127 127 GLN N N 127 121.453 121.453 119.818 1.635 19751 1910 1 3 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.537 -0.230 19751 1911 1 3 . 1 1 127 127 GLN C C 127 175.691 175.691 174.799 0.892 19751 1912 1 3 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.696 -0.115 19751 1913 1 3 . 1 1 127 127 GLN CB C 127 29.703 29.703 30.541 -0.838 19751 1914 1 3 . 1 1 127 127 GLN H H 127 8.356 8.356 8.390 -0.034 19751 1915 1 3 . 1 1 128 128 GLN N N 128 122.570 122.570 125.081 -2.511 19751 1916 1 3 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.694 -0.109 19751 1917 1 3 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.524 0.220 19751 1918 1 3 . 1 1 128 128 GLN CB C 128 28.864 28.864 28.678 0.186 19751 1919 1 3 . 1 1 128 128 GLN H H 128 8.348 8.348 8.471 -0.123 19751 1920 1 3 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.575 -0.174 19751 1921 1 3 . 1 1 129 129 PRO C C 129 175.988 175.988 177.637 -1.649 19751 1922 1 3 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.377 1.073 19751 1923 1 3 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.473 -0.516 19751 1924 1 4 . 1 1 2 2 GLU N N 2 122.196 122.196 123.064 -0.868 19751 1925 1 4 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.627 -0.392 19751 1926 1 4 . 1 1 2 2 GLU C C 2 175.712 175.712 175.806 -0.094 19751 1927 1 4 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.334 0.298 19751 1928 1 4 . 1 1 2 2 GLU CB C 2 29.971 29.971 31.030 -1.059 19751 1929 1 4 . 1 1 2 2 GLU H H 2 8.617 8.617 8.689 -0.072 19751 1930 1 4 . 1 1 3 3 SER N N 3 116.623 116.623 120.437 -3.814 19751 1931 1 4 . 1 1 3 3 SER HA H 3 4.597 4.597 4.518 0.079 19751 1932 1 4 . 1 1 3 3 SER C C 3 174.294 174.294 175.100 -0.806 19751 1933 1 4 . 1 1 3 3 SER CA C 3 58.386 58.386 58.051 0.335 19751 1934 1 4 . 1 1 3 3 SER CB C 3 64.039 64.039 63.630 0.409 19751 1935 1 4 . 1 1 3 3 SER H H 3 8.305 8.305 8.823 -0.518 19751 1936 1 4 . 1 1 4 4 VAL N N 4 121.759 121.759 129.129 -7.370 19751 1937 1 4 . 1 1 4 4 VAL HA H 4 4.309 4.309 3.996 0.313 19751 1938 1 4 . 1 1 4 4 VAL C C 4 176.177 176.177 176.262 -0.085 19751 1939 1 4 . 1 1 4 4 VAL CA C 4 61.709 61.709 63.337 -1.628 19751 1940 1 4 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.287 1.068 19751 1941 1 4 . 1 1 4 4 VAL H H 4 8.303 8.303 8.689 -0.386 19751 1942 1 4 . 1 1 5 5 THR N N 5 118.335 118.335 109.601 8.734 19751 1943 1 4 . 1 1 5 5 THR HA H 5 4.592 4.592 3.959 0.633 19751 1944 1 4 . 1 1 5 5 THR C C 5 173.579 173.579 173.861 -0.282 19751 1945 1 4 . 1 1 5 5 THR CA C 5 62.022 62.022 63.008 -0.986 19751 1946 1 4 . 1 1 5 5 THR CB C 5 70.047 70.047 67.871 2.176 19751 1947 1 4 . 1 1 5 5 THR H H 5 8.319 8.319 8.066 0.253 19751 1948 1 4 . 1 1 6 6 MET N N 6 123.858 123.858 119.570 4.288 19751 1949 1 4 . 1 1 6 6 MET CA C 6 57.260 57.260 54.773 2.487 19751 1950 1 4 . 1 1 6 6 MET CB C 6 33.780 33.780 34.570 -0.790 19751 1951 1 4 . 1 1 6 6 MET H H 6 8.035 8.035 7.584 0.451 19751 1952 1 4 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.899 -0.402 19751 1953 1 4 . 1 1 7 7 ASP CA C 7 55.150 55.150 53.348 1.802 19751 1954 1 4 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.841 -1.577 19751 1955 1 4 . 1 1 8 8 GLY N N 8 114.130 114.130 108.583 5.547 19751 1956 1 4 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.930 0.683 19751 1957 1 4 . 1 1 8 8 GLY H H 8 8.386 8.386 8.450 -0.064 19751 1958 1 4 . 1 1 9 9 LYS N N 9 120.803 120.803 124.154 -3.351 19751 1959 1 4 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.388 -0.044 19751 1960 1 4 . 1 1 9 9 LYS H H 9 8.021 8.021 8.497 -0.476 19751 1961 1 4 . 1 1 10 10 GLN N N 10 120.522 120.522 124.158 -3.636 19751 1962 1 4 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.608 -0.141 19751 1963 1 4 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.977 -0.696 19751 1964 1 4 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.226 0.184 19751 1965 1 4 . 1 1 10 10 GLN H H 10 8.246 8.246 8.514 -0.268 19751 1966 1 4 . 1 1 11 11 TYR N N 11 121.213 121.213 121.815 -0.602 19751 1967 1 4 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.947 -0.648 19751 1968 1 4 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.621 -0.672 19751 1969 1 4 . 1 1 11 11 TYR CB C 11 43.274 43.274 40.542 2.732 19751 1970 1 4 . 1 1 11 11 TYR H H 11 8.873 8.873 8.504 0.369 19751 1971 1 4 . 1 1 12 12 SER N N 12 117.406 117.406 115.155 2.251 19751 1972 1 4 . 1 1 12 12 SER HA H 12 4.715 4.715 4.801 -0.086 19751 1973 1 4 . 1 1 12 12 SER CA C 12 57.374 57.374 57.834 -0.460 19751 1974 1 4 . 1 1 12 12 SER CB C 12 63.946 63.946 64.588 -0.642 19751 1975 1 4 . 1 1 12 12 SER H H 12 9.047 9.047 8.557 0.490 19751 1976 1 4 . 1 1 13 13 THR N N 13 112.091 112.091 118.186 -6.095 19751 1977 1 4 . 1 1 13 13 THR HA H 13 4.929 4.929 4.650 0.279 19751 1978 1 4 . 1 1 13 13 THR CA C 13 60.716 60.716 61.736 -1.020 19751 1979 1 4 . 1 1 13 13 THR CB C 13 71.808 71.808 69.764 2.043 19751 1980 1 4 . 1 1 13 13 THR H H 13 8.235 8.235 8.186 0.049 19751 1981 1 4 . 1 1 14 14 ILE N N 14 120.891 120.891 123.878 -2.987 19751 1982 1 4 . 1 1 14 14 ILE H H 14 9.108 9.108 8.425 0.683 19751 1983 1 4 . 1 1 15 15 GLU N N 15 127.598 127.598 126.565 1.033 19751 1984 1 4 . 1 1 15 15 GLU H H 15 8.300 8.300 8.548 -0.248 19751 1985 1 4 . 1 1 16 16 VAL N N 16 126.224 126.224 127.299 -1.075 19751 1986 1 4 . 1 1 16 16 VAL HA H 16 4.284 4.284 3.886 0.398 19751 1987 1 4 . 1 1 16 16 VAL CA C 16 61.835 61.835 63.634 -1.799 19751 1988 1 4 . 1 1 16 16 VAL CB C 16 34.896 34.896 30.642 4.254 19751 1989 1 4 . 1 1 16 16 VAL H H 16 9.320 9.320 8.980 0.340 19751 1990 1 4 . 1 1 17 17 ASN N N 17 123.394 123.394 125.484 -2.090 19751 1991 1 4 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.431 0.733 19751 1992 1 4 . 1 1 17 17 ASN CA C 17 53.549 53.549 54.224 -0.674 19751 1993 1 4 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.239 -0.024 19751 1994 1 4 . 1 1 17 17 ASN H H 17 9.310 9.310 9.123 0.187 19751 1995 1 4 . 1 1 18 18 GLY H H 18 9.024 9.024 7.971 1.053 19751 1996 1 4 . 1 1 19 19 GLN N N 19 119.994 119.994 121.016 -1.022 19751 1997 1 4 . 1 1 19 19 GLN H H 19 7.990 7.990 7.716 0.274 19751 1998 1 4 . 1 1 20 20 THR N N 20 117.472 117.472 123.559 -6.087 19751 1999 1 4 . 1 1 20 20 THR HA H 20 4.384 4.384 4.281 0.103 19751 2000 1 4 . 1 1 20 20 THR CA C 20 63.334 63.334 63.677 -0.343 19751 2001 1 4 . 1 1 20 20 THR CB C 20 69.401 69.401 69.045 0.356 19751 2002 1 4 . 1 1 20 20 THR H H 20 8.401 8.401 8.422 -0.021 19751 2003 1 4 . 1 1 21 21 TYR N N 21 126.847 126.847 125.504 1.343 19751 2004 1 4 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.675 -0.513 19751 2005 1 4 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.669 -0.182 19751 2006 1 4 . 1 1 21 21 TYR CB C 21 43.330 43.330 40.217 3.113 19751 2007 1 4 . 1 1 21 21 TYR H H 21 9.367 9.367 8.359 1.008 19751 2008 1 4 . 1 1 22 22 LEU N N 22 118.537 118.537 122.631 -4.094 19751 2009 1 4 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.756 -0.564 19751 2010 1 4 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.420 2.502 19751 2011 1 4 . 1 1 22 22 LEU CB C 22 43.212 43.212 44.163 -0.951 19751 2012 1 4 . 1 1 22 22 LEU H H 22 9.060 9.060 8.553 0.507 19751 2013 1 4 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.490 -0.099 19751 2014 1 4 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.896 0.438 19751 2015 1 4 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.271 -0.131 19751 2016 1 4 . 1 1 25 25 ASP N N 25 121.554 121.554 123.247 -1.693 19751 2017 1 4 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.767 -0.175 19751 2018 1 4 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.849 0.459 19751 2019 1 4 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.130 -0.043 19751 2020 1 4 . 1 1 25 25 ASP H H 25 8.324 8.324 8.525 -0.201 19751 2021 1 4 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.923 -0.184 19751 2022 1 4 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.585 -0.929 19751 2023 1 4 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.887 -0.755 19751 2024 1 4 . 1 1 27 27 GLY N N 27 109.206 109.206 110.033 -0.827 19751 2025 1 4 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.664 0.750 19751 2026 1 4 . 1 1 27 27 GLY H H 27 8.494 8.494 8.873 -0.379 19751 2027 1 4 . 1 1 28 28 SER N N 28 116.238 116.238 115.950 0.288 19751 2028 1 4 . 1 1 28 28 SER HA H 28 4.384 4.384 4.956 -0.572 19751 2029 1 4 . 1 1 28 28 SER CA C 28 60.226 60.226 57.779 2.447 19751 2030 1 4 . 1 1 28 28 SER CB C 28 63.818 63.818 63.656 0.162 19751 2031 1 4 . 1 1 28 28 SER H H 28 8.372 8.372 8.620 -0.248 19751 2032 1 4 . 1 1 29 29 LYS N N 29 121.905 121.905 122.657 -0.752 19751 2033 1 4 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.808 -0.477 19751 2034 1 4 . 1 1 29 29 LYS CA C 29 56.353 56.353 55.253 1.100 19751 2035 1 4 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.782 -0.435 19751 2036 1 4 . 1 1 29 29 LYS H H 29 8.027 8.027 8.415 -0.388 19751 2037 1 4 . 1 1 30 30 LYS N N 30 122.663 122.663 121.415 1.248 19751 2038 1 4 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.450 -0.156 19751 2039 1 4 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.452 0.762 19751 2040 1 4 . 1 1 30 30 LYS CB C 30 33.171 33.171 34.023 -0.852 19751 2041 1 4 . 1 1 30 30 LYS H H 30 8.223 8.223 8.401 -0.178 19751 2042 1 4 . 1 1 31 31 ARG N N 31 123.469 123.469 123.033 0.436 19751 2043 1 4 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.759 -0.404 19751 2044 1 4 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.995 0.300 19751 2045 1 4 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.101 0.753 19751 2046 1 4 . 1 1 31 31 ARG H H 31 8.404 8.404 8.683 -0.279 19751 2047 1 4 . 1 1 32 32 VAL N N 32 122.456 122.456 123.181 -0.725 19751 2048 1 4 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.374 -0.131 19751 2049 1 4 . 1 1 32 32 VAL CA C 32 62.316 62.316 61.640 0.676 19751 2050 1 4 . 1 1 32 32 VAL CB C 32 32.863 32.863 34.058 -1.195 19751 2051 1 4 . 1 1 32 32 VAL H H 32 8.214 8.214 8.310 -0.096 19751 2052 1 4 . 1 1 33 33 ALA N N 33 127.685 127.685 127.837 -0.152 19751 2053 1 4 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.848 -0.546 19751 2054 1 4 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.549 1.068 19751 2055 1 4 . 1 1 33 33 ALA CB C 33 19.308 19.308 21.175 -1.867 19751 2056 1 4 . 1 1 33 33 ALA H H 33 8.374 8.374 8.180 0.194 19751 2057 1 4 . 1 1 34 34 ARG N N 34 119.922 119.922 121.001 -1.079 19751 2058 1 4 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.526 -0.203 19751 2059 1 4 . 1 1 34 34 ARG CA C 34 56.820 56.820 56.706 0.114 19751 2060 1 4 . 1 1 34 34 ARG CB C 34 30.160 30.160 30.805 -0.645 19751 2061 1 4 . 1 1 34 34 ARG H H 34 8.652 8.652 8.594 0.058 19751 2062 1 4 . 1 1 35 35 SER N N 35 116.881 116.881 116.619 0.262 19751 2063 1 4 . 1 1 35 35 SER HA H 35 4.543 4.543 4.548 -0.005 19751 2064 1 4 . 1 1 35 35 SER CA C 35 58.440 58.440 58.473 -0.033 19751 2065 1 4 . 1 1 35 35 SER CB C 35 64.094 64.094 63.893 0.201 19751 2066 1 4 . 1 1 35 35 SER H H 35 8.359 8.359 8.355 0.004 19751 2067 1 4 . 1 1 36 36 LEU N N 36 124.595 124.595 124.969 -0.374 19751 2068 1 4 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.869 -0.496 19751 2069 1 4 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.003 0.591 19751 2070 1 4 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.385 -1.107 19751 2071 1 4 . 1 1 36 36 LEU H H 36 8.546 8.546 8.884 -0.338 19751 2072 1 4 . 1 1 37 37 ASP N N 37 119.422 119.422 124.620 -5.198 19751 2073 1 4 . 1 1 37 37 ASP HA H 37 4.592 4.592 4.934 -0.342 19751 2074 1 4 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.471 0.837 19751 2075 1 4 . 1 1 37 37 ASP CB C 37 41.182 41.182 43.226 -2.044 19751 2076 1 4 . 1 1 37 37 ASP H H 37 8.186 8.186 8.796 -0.610 19751 2077 1 4 . 1 1 38 38 SER N N 38 116.413 116.413 117.096 -0.683 19751 2078 1 4 . 1 1 38 38 SER HA H 38 4.450 4.450 4.601 -0.151 19751 2079 1 4 . 1 1 38 38 SER CA C 38 58.499 58.499 58.848 -0.349 19751 2080 1 4 . 1 1 38 38 SER CB C 38 63.818 63.818 63.368 0.450 19751 2081 1 4 . 1 1 38 38 SER H H 38 8.177 8.177 8.607 -0.430 19751 2082 1 4 . 1 1 39 39 LYS N N 39 123.095 123.095 123.912 -0.817 19751 2083 1 4 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.662 -0.325 19751 2084 1 4 . 1 1 39 39 LYS CA C 39 56.679 56.679 56.052 0.627 19751 2085 1 4 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.708 -1.476 19751 2086 1 4 . 1 1 39 39 LYS H H 39 8.379 8.379 8.445 -0.066 19751 2087 1 4 . 1 1 40 40 VAL N N 40 122.475 122.475 122.102 0.373 19751 2088 1 4 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.256 0.132 19751 2089 1 4 . 1 1 40 40 VAL CA C 40 60.161 60.161 60.408 -0.247 19751 2090 1 4 . 1 1 40 40 VAL CB C 40 32.615 32.615 32.645 -0.030 19751 2091 1 4 . 1 1 40 40 VAL H H 40 8.069 8.069 8.607 -0.538 19751 2092 1 4 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.620 -0.200 19751 2093 1 4 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.022 -0.264 19751 2094 1 4 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.959 1.347 19751 2095 1 4 . 1 1 42 42 GLN N N 42 121.230 121.230 122.099 -0.869 19751 2096 1 4 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.406 -0.127 19751 2097 1 4 . 1 1 42 42 GLN CA C 42 56.028 56.028 56.222 -0.194 19751 2098 1 4 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.288 -0.570 19751 2099 1 4 . 1 1 42 42 GLN H H 42 8.482 8.482 8.094 0.388 19751 2100 1 4 . 1 1 43 43 GLN N N 43 121.831 121.831 124.802 -2.971 19751 2101 1 4 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.749 -0.360 19751 2102 1 4 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.179 -0.255 19751 2103 1 4 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.529 -1.000 19751 2104 1 4 . 1 1 43 43 GLN H H 43 8.506 8.506 8.593 -0.087 19751 2105 1 4 . 1 1 44 44 THR N N 44 116.251 116.251 117.773 -1.522 19751 2106 1 4 . 1 1 44 44 THR HA H 44 4.302 4.302 4.597 -0.295 19751 2107 1 4 . 1 1 44 44 THR CA C 44 61.922 61.922 62.725 -0.803 19751 2108 1 4 . 1 1 44 44 THR CB C 44 69.811 69.811 69.555 0.257 19751 2109 1 4 . 1 1 44 44 THR H H 44 8.231 8.231 8.281 -0.050 19751 2110 1 4 . 1 1 45 45 LEU N N 45 125.046 125.046 127.691 -2.645 19751 2111 1 4 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.827 -0.329 19751 2112 1 4 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.593 0.514 19751 2113 1 4 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.098 -0.286 19751 2114 1 4 . 1 1 45 45 LEU H H 45 8.257 8.257 8.875 -0.618 19751 2115 1 4 . 1 1 46 46 ARG N N 46 120.522 120.522 123.730 -3.208 19751 2116 1 4 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.173 -0.940 19751 2117 1 4 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.026 1.438 19751 2118 1 4 . 1 1 46 46 ARG CB C 46 29.971 29.971 32.506 -2.535 19751 2119 1 4 . 1 1 46 46 ARG H H 46 8.007 8.007 8.698 -0.691 19751 2120 1 4 . 1 1 47 47 ARG N N 47 121.010 121.010 120.201 0.809 19751 2121 1 4 . 1 1 47 47 ARG H H 47 8.324 8.324 9.180 -0.856 19751 2122 1 4 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.891 0.449 19751 2123 1 4 . 1 1 49 49 ASP N N 49 120.513 120.513 123.353 -2.840 19751 2124 1 4 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.730 -0.111 19751 2125 1 4 . 1 1 49 49 ASP CA C 49 54.330 54.330 54.349 -0.019 19751 2126 1 4 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.002 -0.839 19751 2127 1 4 . 1 1 49 49 ASP H H 49 8.225 8.225 8.340 -0.115 19751 2128 1 4 . 1 1 50 50 VAL N N 50 119.718 119.718 120.152 -0.434 19751 2129 1 4 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.658 -0.586 19751 2130 1 4 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.563 0.839 19751 2131 1 4 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.122 -0.328 19751 2132 1 4 . 1 1 50 50 VAL H H 50 8.024 8.024 8.108 -0.084 19751 2133 1 4 . 1 1 51 51 LEU N N 51 125.249 125.249 123.170 2.079 19751 2134 1 4 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.812 -0.466 19751 2135 1 4 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.319 1.051 19751 2136 1 4 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.670 -1.291 19751 2137 1 4 . 1 1 51 51 LEU H H 51 8.305 8.305 8.119 0.186 19751 2138 1 4 . 1 1 52 52 MET HA H 52 4.458 4.458 5.092 -0.634 19751 2139 1 4 . 1 1 52 52 MET CA C 52 55.417 55.417 55.172 0.245 19751 2140 1 4 . 1 1 52 52 MET CB C 52 32.264 32.264 34.471 -2.208 19751 2141 1 4 . 1 1 53 53 GLN N N 53 121.447 121.447 121.529 -0.082 19751 2142 1 4 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.084 -0.777 19751 2143 1 4 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.907 0.307 19751 2144 1 4 . 1 1 53 53 GLN CB C 53 29.697 29.697 31.838 -2.141 19751 2145 1 4 . 1 1 53 53 GLN H H 53 8.373 8.373 9.467 -1.094 19751 2146 1 4 . 1 1 54 54 GLY N N 54 110.484 110.484 108.571 1.913 19751 2147 1 4 . 1 1 54 54 GLY CA C 54 45.250 45.250 44.596 0.654 19751 2148 1 4 . 1 1 54 54 GLY H H 54 8.456 8.456 8.383 0.073 19751 2149 1 4 . 1 1 55 55 ALA N N 55 123.673 123.673 124.624 -0.951 19751 2150 1 4 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.812 -0.505 19751 2151 1 4 . 1 1 55 55 ALA C C 55 177.397 177.397 176.096 1.301 19751 2152 1 4 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.649 -0.032 19751 2153 1 4 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.054 -0.746 19751 2154 1 4 . 1 1 55 55 ALA H H 55 8.113 8.113 8.162 -0.049 19751 2155 1 4 . 1 1 56 56 ALA N N 56 123.295 123.295 125.719 -2.424 19751 2156 1 4 . 1 1 56 56 ALA HA H 56 4.303 4.303 4.553 -0.249 19751 2157 1 4 . 1 1 56 56 ALA C C 56 177.446 177.446 175.625 1.821 19751 2158 1 4 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.240 0.192 19751 2159 1 4 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.322 -1.014 19751 2160 1 4 . 1 1 56 56 ALA H H 56 8.297 8.297 8.448 -0.151 19751 2161 1 4 . 1 1 57 57 SER N N 57 116.534 116.534 116.696 -0.162 19751 2162 1 4 . 1 1 57 57 SER HA H 57 4.737 4.737 4.574 0.163 19751 2163 1 4 . 1 1 57 57 SER CA C 57 56.332 56.332 57.883 -1.551 19751 2164 1 4 . 1 1 57 57 SER CB C 57 63.567 63.567 63.887 -0.320 19751 2165 1 4 . 1 1 57 57 SER H H 57 8.258 8.258 8.425 -0.167 19751 2166 1 4 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.669 -0.267 19751 2167 1 4 . 1 1 58 58 PRO C C 58 176.874 176.874 176.086 0.788 19751 2168 1 4 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.386 -0.029 19751 2169 1 4 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.145 -0.110 19751 2170 1 4 . 1 1 59 59 GLU N N 59 120.545 120.545 122.518 -1.973 19751 2171 1 4 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.707 -0.471 19751 2172 1 4 . 1 1 59 59 GLU C C 59 176.383 176.383 174.673 1.710 19751 2173 1 4 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.869 0.706 19751 2174 1 4 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.072 -0.969 19751 2175 1 4 . 1 1 59 59 GLU H H 59 8.556 8.556 8.577 -0.021 19751 2176 1 4 . 1 1 60 60 LEU N N 60 122.946 122.946 120.196 2.750 19751 2177 1 4 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.665 -0.221 19751 2178 1 4 . 1 1 60 60 LEU C C 60 177.201 177.201 174.649 2.552 19751 2179 1 4 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.666 0.454 19751 2180 1 4 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.942 -1.654 19751 2181 1 4 . 1 1 60 60 LEU H H 60 8.205 8.205 8.312 -0.107 19751 2182 1 4 . 1 1 61 61 THR N N 61 115.168 115.168 115.221 -0.053 19751 2183 1 4 . 1 1 61 61 THR HA H 61 4.380 4.380 4.637 -0.257 19751 2184 1 4 . 1 1 61 61 THR C C 61 174.201 174.201 173.413 0.788 19751 2185 1 4 . 1 1 61 61 THR CA C 61 61.792 61.792 61.961 -0.169 19751 2186 1 4 . 1 1 61 61 THR CB C 61 69.770 69.770 69.147 0.623 19751 2187 1 4 . 1 1 61 61 THR H H 61 8.149 8.149 8.258 -0.109 19751 2188 1 4 . 1 1 62 62 VAL N N 62 121.650 121.650 124.723 -3.073 19751 2189 1 4 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.466 -0.147 19751 2190 1 4 . 1 1 62 62 VAL C C 62 175.921 175.921 173.923 1.998 19751 2191 1 4 . 1 1 62 62 VAL CA C 62 61.709 61.709 60.599 1.110 19751 2192 1 4 . 1 1 62 62 VAL CB C 62 33.355 33.355 33.858 -0.503 19751 2193 1 4 . 1 1 62 62 VAL H H 62 8.091 8.091 8.308 -0.217 19751 2194 1 4 . 1 1 63 63 SER N N 63 120.076 120.076 121.618 -1.542 19751 2195 1 4 . 1 1 63 63 SER HA H 63 4.542 4.542 4.747 -0.205 19751 2196 1 4 . 1 1 63 63 SER C C 63 174.254 174.254 172.977 1.277 19751 2197 1 4 . 1 1 63 63 SER CA C 63 58.375 58.375 57.731 0.644 19751 2198 1 4 . 1 1 63 63 SER CB C 63 64.196 64.196 65.456 -1.260 19751 2199 1 4 . 1 1 63 63 SER H H 63 8.524 8.524 8.397 0.127 19751 2200 1 4 . 1 1 64 64 GLY N N 64 109.912 109.912 110.425 -0.513 19751 2201 1 4 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.930 -0.546 19751 2202 1 4 . 1 1 64 64 GLY H H 64 8.255 8.255 8.465 -0.210 19751 2203 1 4 . 1 1 65 65 THR N N 65 114.200 114.200 115.964 -1.764 19751 2204 1 4 . 1 1 65 65 THR HA H 65 4.929 4.929 5.154 -0.225 19751 2205 1 4 . 1 1 65 65 THR CA C 65 60.826 60.826 61.716 -0.890 19751 2206 1 4 . 1 1 65 65 THR CB C 65 71.805 71.805 72.608 -0.802 19751 2207 1 4 . 1 1 65 65 THR H H 65 8.468 8.468 8.164 0.304 19751 2208 1 4 . 1 1 66 66 LEU N N 66 122.673 122.673 124.373 -1.700 19751 2209 1 4 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.930 -0.009 19751 2210 1 4 . 1 1 66 66 LEU C C 66 174.364 174.364 174.622 -0.258 19751 2211 1 4 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.018 -0.608 19751 2212 1 4 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.926 -1.476 19751 2213 1 4 . 1 1 66 66 LEU H H 66 9.054 9.054 9.098 -0.044 19751 2214 1 4 . 1 1 67 67 LEU N N 67 124.219 124.219 126.998 -2.779 19751 2215 1 4 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.803 0.405 19751 2216 1 4 . 1 1 67 67 LEU C C 67 177.107 177.107 175.827 1.280 19751 2217 1 4 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.212 -0.439 19751 2218 1 4 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.017 1.189 19751 2219 1 4 . 1 1 67 67 LEU H H 67 8.927 8.927 9.231 -0.304 19751 2220 1 4 . 1 1 68 68 VAL N N 68 121.113 121.113 125.371 -4.258 19751 2221 1 4 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.247 0.609 19751 2222 1 4 . 1 1 68 68 VAL C C 68 174.079 174.079 174.305 -0.226 19751 2223 1 4 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.235 -0.377 19751 2224 1 4 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.311 0.704 19751 2225 1 4 . 1 1 68 68 VAL H H 68 9.345 9.345 8.765 0.580 19751 2226 1 4 . 1 1 69 69 GLU N N 69 127.682 127.682 130.508 -2.826 19751 2227 1 4 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.626 0.273 19751 2228 1 4 . 1 1 69 69 GLU C C 69 173.485 173.485 174.831 -1.346 19751 2229 1 4 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.278 -0.930 19751 2230 1 4 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.643 0.328 19751 2231 1 4 . 1 1 69 69 GLU H H 69 8.110 8.110 8.735 -0.625 19751 2232 1 4 . 1 1 70 70 ALA N N 70 130.042 130.042 128.433 1.609 19751 2233 1 4 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.498 0.066 19751 2234 1 4 . 1 1 70 70 ALA C C 70 174.853 174.853 175.040 -0.187 19751 2235 1 4 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.468 0.236 19751 2236 1 4 . 1 1 70 70 ALA CB C 70 21.431 21.431 20.622 0.809 19751 2237 1 4 . 1 1 70 70 ALA H H 70 7.991 7.991 7.627 0.364 19751 2238 1 4 . 1 1 71 71 ASP N N 71 117.021 117.021 118.495 -1.474 19751 2239 1 4 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.724 -0.144 19751 2240 1 4 . 1 1 71 71 ASP C C 71 175.160 175.160 176.958 -1.798 19751 2241 1 4 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.897 -0.854 19751 2242 1 4 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.382 -1.460 19751 2243 1 4 . 1 1 71 71 ASP H H 71 8.025 8.025 8.358 -0.333 19751 2244 1 4 . 1 1 72 72 ASP N N 72 119.867 119.867 121.134 -1.267 19751 2245 1 4 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.633 0.490 19751 2246 1 4 . 1 1 72 72 ASP C C 72 177.598 177.598 177.239 0.359 19751 2247 1 4 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.991 0.466 19751 2248 1 4 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.602 -0.613 19751 2249 1 4 . 1 1 72 72 ASP H H 72 8.644 8.644 8.731 -0.087 19751 2250 1 4 . 1 1 73 73 ALA N N 73 120.735 120.735 120.226 0.509 19751 2251 1 4 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.014 -0.062 19751 2252 1 4 . 1 1 73 73 ALA C C 73 181.711 181.711 179.508 2.203 19751 2253 1 4 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.575 0.782 19751 2254 1 4 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.246 -0.425 19751 2255 1 4 . 1 1 73 73 ALA H H 73 8.212 8.212 8.256 -0.044 19751 2256 1 4 . 1 1 74 74 SER N N 74 116.971 116.971 113.808 3.163 19751 2257 1 4 . 1 1 74 74 SER HA H 74 4.207 4.207 4.191 0.016 19751 2258 1 4 . 1 1 74 74 SER C C 74 176.918 176.918 176.224 0.694 19751 2259 1 4 . 1 1 74 74 SER CA C 74 61.632 61.632 60.166 1.466 19751 2260 1 4 . 1 1 74 74 SER CB C 74 62.233 62.233 62.977 -0.744 19751 2261 1 4 . 1 1 74 74 SER H H 74 8.376 8.376 7.509 0.867 19751 2262 1 4 . 1 1 75 75 ALA N N 75 124.844 124.844 124.918 -0.074 19751 2263 1 4 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.749 0.073 19751 2264 1 4 . 1 1 75 75 ALA C C 75 179.160 179.160 179.056 0.104 19751 2265 1 4 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.337 -0.036 19751 2266 1 4 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.685 0.827 19751 2267 1 4 . 1 1 75 75 ALA H H 75 9.121 9.121 7.564 1.557 19751 2268 1 4 . 1 1 76 76 LYS N N 76 117.821 117.821 117.813 0.008 19751 2269 1 4 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.980 -0.175 19751 2270 1 4 . 1 1 76 76 LYS C C 76 179.175 179.175 178.491 0.684 19751 2271 1 4 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.356 0.782 19751 2272 1 4 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.820 0.542 19751 2273 1 4 . 1 1 76 76 LYS H H 76 8.306 8.306 7.690 0.616 19751 2274 1 4 . 1 1 77 77 ALA N N 77 122.703 122.703 121.907 0.796 19751 2275 1 4 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.101 0.089 19751 2276 1 4 . 1 1 77 77 ALA C C 77 180.868 180.868 179.905 0.963 19751 2277 1 4 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.662 0.490 19751 2278 1 4 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.204 -0.372 19751 2279 1 4 . 1 1 77 77 ALA H H 77 7.584 7.584 7.407 0.177 19751 2280 1 4 . 1 1 78 78 LEU N N 78 120.574 120.574 118.465 2.109 19751 2281 1 4 . 1 1 78 78 LEU HA H 78 4.036 4.036 3.952 0.084 19751 2282 1 4 . 1 1 78 78 LEU C C 78 178.870 178.870 179.182 -0.312 19751 2283 1 4 . 1 1 78 78 LEU CA C 78 57.888 57.888 57.056 0.832 19751 2284 1 4 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.810 0.668 19751 2285 1 4 . 1 1 78 78 LEU H H 78 8.338 8.338 7.945 0.393 19751 2286 1 4 . 1 1 79 79 ALA N N 79 121.156 121.156 121.425 -0.269 19751 2287 1 4 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.088 -0.193 19751 2288 1 4 . 1 1 79 79 ALA C C 79 179.393 179.393 179.055 0.338 19751 2289 1 4 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.358 0.402 19751 2290 1 4 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.419 -1.163 19751 2291 1 4 . 1 1 79 79 ALA H H 79 8.491 8.491 8.583 -0.092 19751 2292 1 4 . 1 1 80 80 THR N N 80 114.097 114.097 111.875 2.222 19751 2293 1 4 . 1 1 80 80 THR HA H 80 4.048 4.048 4.255 -0.207 19751 2294 1 4 . 1 1 80 80 THR C C 80 177.034 177.034 176.423 0.611 19751 2295 1 4 . 1 1 80 80 THR CA C 80 66.139 66.139 65.395 0.744 19751 2296 1 4 . 1 1 80 80 THR CB C 80 69.243 69.243 69.103 0.140 19751 2297 1 4 . 1 1 80 80 THR H H 80 8.111 8.111 7.794 0.317 19751 2298 1 4 . 1 1 81 81 ARG N N 81 121.321 121.321 120.682 0.639 19751 2299 1 4 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.193 -0.250 19751 2300 1 4 . 1 1 81 81 ARG C C 81 177.546 177.546 178.110 -0.564 19751 2301 1 4 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.278 0.763 19751 2302 1 4 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.397 0.326 19751 2303 1 4 . 1 1 81 81 ARG H H 81 7.893 7.893 7.636 0.257 19751 2304 1 4 . 1 1 82 82 HIS N N 82 113.320 113.320 114.923 -1.603 19751 2305 1 4 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.473 0.236 19751 2306 1 4 . 1 1 82 82 HIS C C 82 174.918 174.918 175.644 -0.726 19751 2307 1 4 . 1 1 82 82 HIS CA C 82 56.162 56.162 56.551 -0.389 19751 2308 1 4 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.380 1.128 19751 2309 1 4 . 1 1 82 82 HIS H H 82 7.684 7.684 7.850 -0.166 19751 2310 1 4 . 1 1 83 83 GLY N N 83 109.763 109.763 105.521 4.242 19751 2311 1 4 . 1 1 83 83 GLY C C 83 174.866 174.866 174.330 0.536 19751 2312 1 4 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.952 2.325 19751 2313 1 4 . 1 1 83 83 GLY H H 83 7.707 7.707 7.630 0.077 19751 2314 1 4 . 1 1 84 84 LEU N N 84 119.225 119.225 119.084 0.141 19751 2315 1 4 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.626 0.208 19751 2316 1 4 . 1 1 84 84 LEU C C 84 174.880 174.880 176.302 -1.422 19751 2317 1 4 . 1 1 84 84 LEU CA C 84 52.869 52.869 53.967 -1.098 19751 2318 1 4 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.761 2.322 19751 2319 1 4 . 1 1 84 84 LEU H H 84 8.672 8.672 7.322 1.350 19751 2320 1 4 . 1 1 85 85 ASN N N 85 117.042 117.042 117.142 -0.100 19751 2321 1 4 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.907 0.261 19751 2322 1 4 . 1 1 85 85 ASN C C 85 175.212 175.212 174.091 1.121 19751 2323 1 4 . 1 1 85 85 ASN CA C 85 51.858 51.858 51.901 -0.043 19751 2324 1 4 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.542 0.340 19751 2325 1 4 . 1 1 85 85 ASN H H 85 8.955 8.955 8.414 0.541 19751 2326 1 4 . 1 1 86 86 PHE N N 86 126.957 126.957 126.786 0.171 19751 2327 1 4 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.500 -0.059 19751 2328 1 4 . 1 1 86 86 PHE C C 86 173.744 173.744 174.940 -1.196 19751 2329 1 4 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.416 1.190 19751 2330 1 4 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.942 0.122 19751 2331 1 4 . 1 1 86 86 PHE H H 86 9.221 9.221 8.974 0.247 19751 2332 1 4 . 1 1 87 87 LYS N N 87 129.305 129.305 128.699 0.606 19751 2333 1 4 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.093 0.258 19751 2334 1 4 . 1 1 87 87 LYS C C 87 175.203 175.203 176.140 -0.937 19751 2335 1 4 . 1 1 87 87 LYS CA C 87 56.697 56.697 57.245 -0.548 19751 2336 1 4 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.287 0.287 19751 2337 1 4 . 1 1 87 87 LYS H H 87 8.397 8.397 8.780 -0.383 19751 2338 1 4 . 1 1 88 88 GLN N N 88 110.785 110.785 114.582 -3.797 19751 2339 1 4 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.223 0.168 19751 2340 1 4 . 1 1 88 88 GLN C C 88 185.308 185.308 173.479 11.829 19751 2341 1 4 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.833 -0.080 19751 2342 1 4 . 1 1 88 88 GLN H H 88 6.855 6.855 7.772 -0.917 19751 2343 1 4 . 1 1 89 89 SER N N 89 113.927 113.927 114.470 -0.543 19751 2344 1 4 . 1 1 89 89 SER HA H 89 5.298 5.298 5.098 0.200 19751 2345 1 4 . 1 1 89 89 SER C C 89 173.757 173.757 174.275 -0.518 19751 2346 1 4 . 1 1 89 89 SER CA C 89 56.776 56.776 57.199 -0.423 19751 2347 1 4 . 1 1 89 89 SER CB C 89 67.417 67.417 65.093 2.325 19751 2348 1 4 . 1 1 89 89 SER H H 89 8.718 8.718 8.467 0.251 19751 2349 1 4 . 1 1 90 90 SER N N 90 114.246 114.246 118.333 -4.087 19751 2350 1 4 . 1 1 90 90 SER HA H 90 4.597 4.597 4.658 -0.061 19751 2351 1 4 . 1 1 90 90 SER CA C 90 58.356 58.356 57.487 0.869 19751 2352 1 4 . 1 1 90 90 SER CB C 90 63.952 63.952 63.378 0.574 19751 2353 1 4 . 1 1 90 90 SER H H 90 8.479 8.479 8.671 -0.192 19751 2354 1 4 . 1 1 91 91 GLY N N 91 116.101 116.101 109.283 6.818 19751 2355 1 4 . 1 1 91 91 GLY C C 91 174.853 174.853 174.630 0.223 19751 2356 1 4 . 1 1 91 91 GLY CA C 91 47.155 47.155 44.966 2.189 19751 2357 1 4 . 1 1 91 91 GLY H H 91 8.490 8.490 7.894 0.596 19751 2358 1 4 . 1 1 92 92 GLY N N 92 107.199 107.199 108.058 -0.859 19751 2359 1 4 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.174 -0.508 19751 2360 1 4 . 1 1 92 92 GLY H H 92 8.914 8.914 8.137 0.777 19751 2361 1 4 . 1 1 93 93 ILE N N 93 118.958 118.958 115.815 3.143 19751 2362 1 4 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.861 -0.123 19751 2363 1 4 . 1 1 93 93 ILE C C 93 175.050 175.050 173.766 1.284 19751 2364 1 4 . 1 1 93 93 ILE CA C 93 58.535 58.535 60.030 -1.495 19751 2365 1 4 . 1 1 93 93 ILE CB C 93 38.109 38.109 40.467 -2.358 19751 2366 1 4 . 1 1 93 93 ILE H H 93 7.540 7.540 7.565 -0.025 19751 2367 1 4 . 1 1 94 94 ALA N N 94 131.032 131.032 129.478 1.554 19751 2368 1 4 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.116 -0.388 19751 2369 1 4 . 1 1 94 94 ALA C C 94 174.512 174.512 177.366 -2.854 19751 2370 1 4 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.607 -0.169 19751 2371 1 4 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.661 2.151 19751 2372 1 4 . 1 1 94 94 ALA H H 94 9.561 9.561 9.185 0.376 19751 2373 1 4 . 1 1 95 95 LEU N N 95 123.066 123.066 124.518 -1.452 19751 2374 1 4 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.849 0.114 19751 2375 1 4 . 1 1 95 95 LEU C C 95 174.922 174.922 175.934 -1.012 19751 2376 1 4 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.507 0.008 19751 2377 1 4 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.723 2.482 19751 2378 1 4 . 1 1 95 95 LEU H H 95 8.641 8.641 8.162 0.479 19751 2379 1 4 . 1 1 96 96 LEU N N 96 124.843 124.843 124.389 0.454 19751 2380 1 4 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.178 -0.006 19751 2381 1 4 . 1 1 96 96 LEU C C 96 175.059 175.059 177.110 -2.051 19751 2382 1 4 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.140 -0.501 19751 2383 1 4 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.572 0.697 19751 2384 1 4 . 1 1 96 96 LEU H H 96 9.235 9.235 8.807 0.428 19751 2385 1 4 . 1 1 97 97 GLU N N 97 121.306 121.306 120.584 0.722 19751 2386 1 4 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.677 0.182 19751 2387 1 4 . 1 1 97 97 GLU C C 97 175.343 175.343 175.493 -0.150 19751 2388 1 4 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.939 0.152 19751 2389 1 4 . 1 1 97 97 GLU CB C 97 33.415 33.415 31.011 2.404 19751 2390 1 4 . 1 1 97 97 GLU H H 97 9.113 9.113 8.502 0.611 19751 2391 1 4 . 1 1 98 98 ALA N N 98 126.658 126.658 127.997 -1.339 19751 2392 1 4 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.311 0.463 19751 2393 1 4 . 1 1 98 98 ALA C C 98 176.880 176.880 177.075 -0.195 19751 2394 1 4 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.632 -1.037 19751 2395 1 4 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.591 1.792 19751 2396 1 4 . 1 1 98 98 ALA H H 98 8.731 8.731 8.504 0.227 19751 2397 1 4 . 1 1 99 99 LYS N N 99 121.674 121.674 122.431 -0.757 19751 2398 1 4 . 1 1 99 99 LYS H H 99 8.636 8.636 8.286 0.350 19751 2399 1 4 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.267 0.195 19751 2400 1 4 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.838 -0.350 19751 2401 1 4 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.786 1.400 19751 2402 1 4 . 1 1 101 101 GLY N N 101 110.695 110.695 114.725 -4.030 19751 2403 1 4 . 1 1 101 101 GLY C C 101 174.676 174.676 174.469 0.207 19751 2404 1 4 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.840 0.343 19751 2405 1 4 . 1 1 101 101 GLY H H 101 8.709 8.709 8.296 0.413 19751 2406 1 4 . 1 1 102 102 THR N N 102 116.771 116.771 117.794 -1.023 19751 2407 1 4 . 1 1 102 102 THR HA H 102 4.134 4.134 4.373 -0.239 19751 2408 1 4 . 1 1 102 102 THR CA C 102 62.998 62.998 61.970 1.028 19751 2409 1 4 . 1 1 102 102 THR CB C 102 69.736 69.736 69.737 -0.001 19751 2410 1 4 . 1 1 102 102 THR H H 102 7.652 7.652 7.518 0.134 19751 2411 1 4 . 1 1 103 103 ASP N N 103 125.950 125.950 124.010 1.940 19751 2412 1 4 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.764 -0.060 19751 2413 1 4 . 1 1 103 103 ASP C C 103 175.907 175.907 177.027 -1.120 19751 2414 1 4 . 1 1 103 103 ASP CA C 103 52.747 52.747 52.789 -0.042 19751 2415 1 4 . 1 1 103 103 ASP CB C 103 39.987 39.987 38.657 1.330 19751 2416 1 4 . 1 1 103 103 ASP H H 103 8.849 8.849 8.593 0.256 19751 2417 1 4 . 1 1 104 104 LEU N N 104 127.195 127.195 118.168 9.027 19751 2418 1 4 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.873 -0.002 19751 2419 1 4 . 1 1 104 104 LEU C C 104 178.528 178.528 178.070 0.458 19751 2420 1 4 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.179 -0.751 19751 2421 1 4 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.314 0.868 19751 2422 1 4 . 1 1 104 104 LEU H H 104 8.464 8.464 7.487 0.977 19751 2423 1 4 . 1 1 105 105 ASN N N 105 116.748 116.748 116.531 0.217 19751 2424 1 4 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.385 -0.048 19751 2425 1 4 . 1 1 105 105 ASN C C 105 177.999 177.999 176.509 1.490 19751 2426 1 4 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.107 0.435 19751 2427 1 4 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.290 -0.065 19751 2428 1 4 . 1 1 105 105 ASN H H 105 8.225 8.225 8.358 -0.133 19751 2429 1 4 . 1 1 106 106 ALA N N 106 123.704 123.704 122.875 0.829 19751 2430 1 4 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.195 -0.109 19751 2431 1 4 . 1 1 106 106 ALA C C 106 181.021 181.021 179.432 1.589 19751 2432 1 4 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.287 0.597 19751 2433 1 4 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.810 -0.827 19751 2434 1 4 . 1 1 106 106 ALA H H 106 7.810 7.810 7.600 0.210 19751 2435 1 4 . 1 1 107 107 ILE N N 107 118.676 118.676 119.382 -0.706 19751 2436 1 4 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.404 0.250 19751 2437 1 4 . 1 1 107 107 ILE C C 107 177.324 177.324 178.525 -1.201 19751 2438 1 4 . 1 1 107 107 ILE CA C 107 63.835 63.835 65.185 -1.350 19751 2439 1 4 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.419 0.188 19751 2440 1 4 . 1 1 107 107 ILE H H 107 7.582 7.582 8.433 -0.851 19751 2441 1 4 . 1 1 108 108 ALA N N 108 122.550 122.550 121.215 1.335 19751 2442 1 4 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.987 -0.186 19751 2443 1 4 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.434 0.645 19751 2444 1 4 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.847 0.090 19751 2445 1 4 . 1 1 108 108 ALA H H 108 8.551 8.551 7.686 0.865 19751 2446 1 4 . 1 1 109 109 THR N N 109 113.975 113.975 113.295 0.680 19751 2447 1 4 . 1 1 109 109 THR HA H 109 3.806 3.806 3.915 -0.109 19751 2448 1 4 . 1 1 109 109 THR C C 109 176.632 176.632 176.317 0.315 19751 2449 1 4 . 1 1 109 109 THR CA C 109 67.362 67.362 65.887 1.475 19751 2450 1 4 . 1 1 109 109 THR CB C 109 68.554 68.554 68.439 0.115 19751 2451 1 4 . 1 1 109 109 THR H H 109 8.197 8.197 7.707 0.490 19751 2452 1 4 . 1 1 110 110 LYS N N 110 123.603 123.603 120.177 3.426 19751 2453 1 4 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.169 -0.092 19751 2454 1 4 . 1 1 110 110 LYS C C 110 179.640 179.640 177.536 2.104 19751 2455 1 4 . 1 1 110 110 LYS CA C 110 59.365 59.365 58.368 0.997 19751 2456 1 4 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.387 -0.316 19751 2457 1 4 . 1 1 110 110 LYS H H 110 7.656 7.656 7.739 -0.083 19751 2458 1 4 . 1 1 111 111 LEU N N 111 120.492 120.492 119.256 1.236 19751 2459 1 4 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.219 -0.362 19751 2460 1 4 . 1 1 111 111 LEU C C 111 179.289 179.289 178.821 0.468 19751 2461 1 4 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.411 0.704 19751 2462 1 4 . 1 1 111 111 LEU CB C 111 41.115 41.115 42.265 -1.150 19751 2463 1 4 . 1 1 111 111 LEU H H 111 8.441 8.441 7.616 0.825 19751 2464 1 4 . 1 1 112 112 LYS N N 112 120.305 120.305 118.548 1.757 19751 2465 1 4 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.266 0.175 19751 2466 1 4 . 1 1 112 112 LYS C C 112 181.574 181.574 178.624 2.950 19751 2467 1 4 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.927 0.684 19751 2468 1 4 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.939 0.354 19751 2469 1 4 . 1 1 112 112 LYS H H 112 8.452 8.452 8.261 0.191 19751 2470 1 4 . 1 1 113 113 SER N N 113 116.992 116.992 114.067 2.925 19751 2471 1 4 . 1 1 113 113 SER HA H 113 4.389 4.389 4.249 0.140 19751 2472 1 4 . 1 1 113 113 SER C C 113 175.200 175.200 175.991 -0.791 19751 2473 1 4 . 1 1 113 113 SER CA C 113 61.260 61.260 60.669 0.591 19751 2474 1 4 . 1 1 113 113 SER CB C 113 62.863 62.863 63.107 -0.244 19751 2475 1 4 . 1 1 113 113 SER H H 113 7.995 7.995 7.768 0.227 19751 2476 1 4 . 1 1 114 114 GLU N N 114 120.677 120.677 118.557 2.120 19751 2477 1 4 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.389 0.042 19751 2478 1 4 . 1 1 114 114 GLU C C 114 176.506 176.506 176.690 -0.184 19751 2479 1 4 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.461 -0.148 19751 2480 1 4 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.601 -1.204 19751 2481 1 4 . 1 1 114 114 GLU H H 114 7.577 7.577 7.972 -0.395 19751 2482 1 4 . 1 1 115 115 GLY N N 115 107.383 107.383 107.547 -0.164 19751 2483 1 4 . 1 1 115 115 GLY C C 115 174.019 174.019 173.836 0.183 19751 2484 1 4 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.687 0.811 19751 2485 1 4 . 1 1 115 115 GLY H H 115 7.947 7.947 7.620 0.327 19751 2486 1 4 . 1 1 116 116 VAL N N 116 121.389 121.389 119.696 1.693 19751 2487 1 4 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.210 -0.078 19751 2488 1 4 . 1 1 116 116 VAL C C 116 175.092 175.092 174.871 0.221 19751 2489 1 4 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.565 0.512 19751 2490 1 4 . 1 1 116 116 VAL CB C 116 33.043 33.043 33.460 -0.417 19751 2491 1 4 . 1 1 116 116 VAL H H 116 7.704 7.704 7.305 0.399 19751 2492 1 4 . 1 1 117 117 ASN N N 117 125.670 125.670 124.562 1.108 19751 2493 1 4 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.979 -0.185 19751 2494 1 4 . 1 1 117 117 ASN C C 117 173.847 173.847 173.909 -0.062 19751 2495 1 4 . 1 1 117 117 ASN CA C 117 53.204 53.204 52.462 0.742 19751 2496 1 4 . 1 1 117 117 ASN CB C 117 38.001 38.001 39.092 -1.091 19751 2497 1 4 . 1 1 117 117 ASN H H 117 9.161 9.161 8.621 0.540 19751 2498 1 4 . 1 1 118 118 VAL N N 118 121.648 121.648 118.297 3.351 19751 2499 1 4 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.000 0.273 19751 2500 1 4 . 1 1 118 118 VAL C C 118 173.553 173.553 174.343 -0.790 19751 2501 1 4 . 1 1 118 118 VAL CA C 118 58.505 58.505 58.985 -0.480 19751 2502 1 4 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.180 -0.091 19751 2503 1 4 . 1 1 118 118 VAL H H 118 7.811 7.811 8.138 -0.327 19751 2504 1 4 . 1 1 119 119 GLN N N 119 124.298 124.298 120.466 3.832 19751 2505 1 4 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.670 -0.017 19751 2506 1 4 . 1 1 119 119 GLN C C 119 174.263 174.263 174.275 -0.012 19751 2507 1 4 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.021 0.222 19751 2508 1 4 . 1 1 119 119 GLN CB C 119 32.526 32.526 33.110 -0.584 19751 2509 1 4 . 1 1 119 119 GLN H H 119 8.746 8.746 8.294 0.452 19751 2510 1 4 . 1 1 120 120 ILE N N 120 122.997 122.997 124.925 -1.928 19751 2511 1 4 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.377 0.071 19751 2512 1 4 . 1 1 120 120 ILE C C 120 175.616 175.616 176.124 -0.508 19751 2513 1 4 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.711 1.246 19751 2514 1 4 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.759 3.171 19751 2515 1 4 . 1 1 120 120 ILE H H 120 8.670 8.670 8.575 0.095 19751 2516 1 4 . 1 1 121 121 GLU N N 121 128.460 128.460 128.173 0.287 19751 2517 1 4 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.684 -0.189 19751 2518 1 4 . 1 1 121 121 GLU C C 121 175.490 175.490 174.707 0.783 19751 2519 1 4 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.201 1.448 19751 2520 1 4 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.720 -1.530 19751 2521 1 4 . 1 1 121 121 GLU H H 121 8.641 8.641 8.362 0.279 19751 2522 1 4 . 1 1 122 122 LEU N N 122 126.756 126.756 119.531 7.225 19751 2523 1 4 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.754 -0.175 19751 2524 1 4 . 1 1 122 122 LEU C C 122 177.291 177.291 176.543 0.748 19751 2525 1 4 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.544 0.969 19751 2526 1 4 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.468 -2.046 19751 2527 1 4 . 1 1 122 122 LEU H H 122 8.642 8.642 8.507 0.135 19751 2528 1 4 . 1 1 123 123 SER N N 123 117.273 117.273 113.983 3.290 19751 2529 1 4 . 1 1 123 123 SER HA H 123 4.430 4.430 4.634 -0.204 19751 2530 1 4 . 1 1 123 123 SER C C 123 175.066 175.066 174.843 0.223 19751 2531 1 4 . 1 1 123 123 SER CA C 123 58.499 58.499 58.145 0.354 19751 2532 1 4 . 1 1 123 123 SER CB C 123 63.946 63.946 64.299 -0.353 19751 2533 1 4 . 1 1 123 123 SER H H 123 8.496 8.496 8.669 -0.173 19751 2534 1 4 . 1 1 124 124 GLY N N 124 111.280 111.280 107.720 3.560 19751 2535 1 4 . 1 1 124 124 GLY C C 124 174.099 174.099 174.020 0.079 19751 2536 1 4 . 1 1 124 124 GLY CA C 124 45.379 45.379 44.926 0.453 19751 2537 1 4 . 1 1 124 124 GLY H H 124 8.566 8.566 8.163 0.403 19751 2538 1 4 . 1 1 125 125 ALA N N 125 123.586 123.586 122.252 1.334 19751 2539 1 4 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.907 -0.600 19751 2540 1 4 . 1 1 125 125 ALA C C 125 177.915 177.915 177.606 0.309 19751 2541 1 4 . 1 1 125 125 ALA CA C 125 52.617 52.617 52.162 0.455 19751 2542 1 4 . 1 1 125 125 ALA CB C 125 19.308 19.308 19.367 -0.059 19751 2543 1 4 . 1 1 125 125 ALA H H 125 8.158 8.158 8.278 -0.120 19751 2544 1 4 . 1 1 126 126 GLU N N 126 120.076 120.076 118.952 1.124 19751 2545 1 4 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.520 -0.169 19751 2546 1 4 . 1 1 126 126 GLU C C 126 176.544 176.544 175.267 1.277 19751 2547 1 4 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.482 1.401 19751 2548 1 4 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.621 -0.011 19751 2549 1 4 . 1 1 126 126 GLU H H 126 8.524 8.524 7.935 0.589 19751 2550 1 4 . 1 1 127 127 GLN N N 127 121.453 121.453 119.679 1.774 19751 2551 1 4 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.431 -0.124 19751 2552 1 4 . 1 1 127 127 GLN C C 127 175.691 175.691 175.340 0.351 19751 2553 1 4 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.633 -0.053 19751 2554 1 4 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.856 -0.153 19751 2555 1 4 . 1 1 127 127 GLN H H 127 8.356 8.356 8.460 -0.104 19751 2556 1 4 . 1 1 128 128 GLN N N 128 122.570 122.570 121.353 1.217 19751 2557 1 4 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.693 -0.108 19751 2558 1 4 . 1 1 128 128 GLN CA C 128 53.744 53.744 54.082 -0.338 19751 2559 1 4 . 1 1 128 128 GLN CB C 128 28.864 28.864 29.042 -0.178 19751 2560 1 4 . 1 1 128 128 GLN H H 128 8.348 8.348 8.585 -0.237 19751 2561 1 4 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.553 -0.152 19751 2562 1 4 . 1 1 129 129 PRO C C 129 175.988 175.988 177.940 -1.952 19751 2563 1 4 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.392 1.057 19751 2564 1 4 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.423 -0.466 19751 2565 1 5 . 1 1 2 2 GLU N N 2 122.196 122.196 121.157 1.039 19751 2566 1 5 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.873 -0.638 19751 2567 1 5 . 1 1 2 2 GLU C C 2 175.712 175.712 175.444 0.268 19751 2568 1 5 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.091 0.541 19751 2569 1 5 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.979 -1.008 19751 2570 1 5 . 1 1 2 2 GLU H H 2 8.617 8.617 8.640 -0.023 19751 2571 1 5 . 1 1 3 3 SER N N 3 116.623 116.623 115.313 1.310 19751 2572 1 5 . 1 1 3 3 SER HA H 3 4.597 4.597 4.625 -0.028 19751 2573 1 5 . 1 1 3 3 SER C C 3 174.294 174.294 174.770 -0.476 19751 2574 1 5 . 1 1 3 3 SER CA C 3 58.386 58.386 57.505 0.881 19751 2575 1 5 . 1 1 3 3 SER CB C 3 64.039 64.039 64.086 -0.047 19751 2576 1 5 . 1 1 3 3 SER H H 3 8.305 8.305 8.351 -0.046 19751 2577 1 5 . 1 1 4 4 VAL N N 4 121.759 121.759 120.840 0.919 19751 2578 1 5 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.170 0.139 19751 2579 1 5 . 1 1 4 4 VAL C C 4 176.177 176.177 176.503 -0.326 19751 2580 1 5 . 1 1 4 4 VAL CA C 4 61.709 61.709 62.002 -0.293 19751 2581 1 5 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.225 1.130 19751 2582 1 5 . 1 1 4 4 VAL H H 4 8.303 8.303 8.510 -0.207 19751 2583 1 5 . 1 1 5 5 THR N N 5 118.335 118.335 114.534 3.801 19751 2584 1 5 . 1 1 5 5 THR HA H 5 4.592 4.592 3.860 0.732 19751 2585 1 5 . 1 1 5 5 THR C C 5 173.579 173.579 173.730 -0.151 19751 2586 1 5 . 1 1 5 5 THR CA C 5 62.022 62.022 63.261 -1.239 19751 2587 1 5 . 1 1 5 5 THR CB C 5 70.047 70.047 67.585 2.462 19751 2588 1 5 . 1 1 5 5 THR H H 5 8.319 8.319 8.257 0.062 19751 2589 1 5 . 1 1 6 6 MET N N 6 123.858 123.858 121.084 2.774 19751 2590 1 5 . 1 1 6 6 MET CA C 6 57.260 57.260 54.513 2.747 19751 2591 1 5 . 1 1 6 6 MET CB C 6 33.780 33.780 35.303 -1.523 19751 2592 1 5 . 1 1 6 6 MET H H 6 8.035 8.035 7.818 0.217 19751 2593 1 5 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.809 -0.312 19751 2594 1 5 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.293 0.857 19751 2595 1 5 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.389 -1.125 19751 2596 1 5 . 1 1 8 8 GLY N N 8 114.130 114.130 108.425 5.705 19751 2597 1 5 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.694 0.919 19751 2598 1 5 . 1 1 8 8 GLY H H 8 8.386 8.386 7.809 0.577 19751 2599 1 5 . 1 1 9 9 LYS N N 9 120.803 120.803 121.957 -1.154 19751 2600 1 5 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.687 -0.343 19751 2601 1 5 . 1 1 9 9 LYS H H 9 8.021 8.021 8.289 -0.268 19751 2602 1 5 . 1 1 10 10 GLN N N 10 120.522 120.522 123.581 -3.059 19751 2603 1 5 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.560 -0.093 19751 2604 1 5 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.220 0.061 19751 2605 1 5 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.031 0.379 19751 2606 1 5 . 1 1 10 10 GLN H H 10 8.246 8.246 8.461 -0.215 19751 2607 1 5 . 1 1 11 11 TYR N N 11 121.213 121.213 122.334 -1.121 19751 2608 1 5 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.864 -0.565 19751 2609 1 5 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.838 -0.889 19751 2610 1 5 . 1 1 11 11 TYR CB C 11 43.274 43.274 40.077 3.197 19751 2611 1 5 . 1 1 11 11 TYR H H 11 8.873 8.873 8.639 0.234 19751 2612 1 5 . 1 1 12 12 SER N N 12 117.406 117.406 117.470 -0.064 19751 2613 1 5 . 1 1 12 12 SER HA H 12 4.715 4.715 4.621 0.094 19751 2614 1 5 . 1 1 12 12 SER CA C 12 57.374 57.374 56.960 0.414 19751 2615 1 5 . 1 1 12 12 SER CB C 12 63.946 63.946 65.077 -1.131 19751 2616 1 5 . 1 1 12 12 SER H H 12 9.047 9.047 7.434 1.613 19751 2617 1 5 . 1 1 13 13 THR N N 13 112.091 112.091 115.197 -3.106 19751 2618 1 5 . 1 1 13 13 THR HA H 13 4.929 4.929 4.444 0.485 19751 2619 1 5 . 1 1 13 13 THR CA C 13 60.716 60.716 62.370 -1.654 19751 2620 1 5 . 1 1 13 13 THR CB C 13 71.808 71.808 69.192 2.616 19751 2621 1 5 . 1 1 13 13 THR H H 13 8.235 8.235 8.117 0.118 19751 2622 1 5 . 1 1 14 14 ILE N N 14 120.891 120.891 121.956 -1.065 19751 2623 1 5 . 1 1 14 14 ILE H H 14 9.108 9.108 7.851 1.257 19751 2624 1 5 . 1 1 15 15 GLU N N 15 127.598 127.598 127.215 0.383 19751 2625 1 5 . 1 1 15 15 GLU H H 15 8.300 8.300 8.499 -0.199 19751 2626 1 5 . 1 1 16 16 VAL N N 16 126.224 126.224 122.457 3.767 19751 2627 1 5 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.156 0.128 19751 2628 1 5 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.391 0.444 19751 2629 1 5 . 1 1 16 16 VAL CB C 16 34.896 34.896 35.002 -0.106 19751 2630 1 5 . 1 1 16 16 VAL H H 16 9.320 9.320 7.654 1.666 19751 2631 1 5 . 1 1 17 17 ASN N N 17 123.394 123.394 121.468 1.926 19751 2632 1 5 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.606 0.558 19751 2633 1 5 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.535 0.014 19751 2634 1 5 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.031 0.184 19751 2635 1 5 . 1 1 17 17 ASN H H 17 9.310 9.310 8.616 0.694 19751 2636 1 5 . 1 1 18 18 GLY H H 18 9.024 9.024 8.417 0.607 19751 2637 1 5 . 1 1 19 19 GLN N N 19 119.994 119.994 119.711 0.283 19751 2638 1 5 . 1 1 19 19 GLN H H 19 7.990 7.990 7.782 0.208 19751 2639 1 5 . 1 1 20 20 THR N N 20 117.472 117.472 117.315 0.157 19751 2640 1 5 . 1 1 20 20 THR HA H 20 4.384 4.384 4.052 0.332 19751 2641 1 5 . 1 1 20 20 THR CA C 20 63.334 63.334 62.417 0.917 19751 2642 1 5 . 1 1 20 20 THR CB C 20 69.401 69.401 69.438 -0.037 19751 2643 1 5 . 1 1 20 20 THR H H 20 8.401 8.401 8.200 0.201 19751 2644 1 5 . 1 1 21 21 TYR N N 21 126.847 126.847 120.279 6.568 19751 2645 1 5 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.921 -0.759 19751 2646 1 5 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.569 -0.082 19751 2647 1 5 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.566 3.764 19751 2648 1 5 . 1 1 21 21 TYR H H 21 9.367 9.367 8.096 1.271 19751 2649 1 5 . 1 1 22 22 LEU N N 22 118.537 118.537 122.084 -3.547 19751 2650 1 5 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.700 -0.508 19751 2651 1 5 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.510 2.412 19751 2652 1 5 . 1 1 22 22 LEU CB C 22 43.212 43.212 43.898 -0.686 19751 2653 1 5 . 1 1 22 22 LEU H H 22 9.060 9.060 8.482 0.578 19751 2654 1 5 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.572 -0.181 19751 2655 1 5 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.585 0.749 19751 2656 1 5 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.503 -0.363 19751 2657 1 5 . 1 1 25 25 ASP N N 25 121.554 121.554 120.414 1.140 19751 2658 1 5 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.779 -0.187 19751 2659 1 5 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.889 0.419 19751 2660 1 5 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.871 -0.784 19751 2661 1 5 . 1 1 25 25 ASP H H 25 8.324 8.324 8.520 -0.196 19751 2662 1 5 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.681 0.058 19751 2663 1 5 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.084 -0.428 19751 2664 1 5 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.700 -0.568 19751 2665 1 5 . 1 1 27 27 GLY N N 27 109.206 109.206 108.522 0.684 19751 2666 1 5 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.560 0.854 19751 2667 1 5 . 1 1 27 27 GLY H H 27 8.494 8.494 8.431 0.063 19751 2668 1 5 . 1 1 28 28 SER N N 28 116.238 116.238 119.297 -3.059 19751 2669 1 5 . 1 1 28 28 SER HA H 28 4.384 4.384 4.533 -0.149 19751 2670 1 5 . 1 1 28 28 SER CA C 28 60.226 60.226 58.081 2.145 19751 2671 1 5 . 1 1 28 28 SER CB C 28 63.818 63.818 63.603 0.215 19751 2672 1 5 . 1 1 28 28 SER H H 28 8.372 8.372 8.480 -0.108 19751 2673 1 5 . 1 1 29 29 LYS N N 29 121.905 121.905 124.857 -2.952 19751 2674 1 5 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.415 -0.084 19751 2675 1 5 . 1 1 29 29 LYS CA C 29 56.353 56.353 56.647 -0.294 19751 2676 1 5 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.389 -0.042 19751 2677 1 5 . 1 1 29 29 LYS H H 29 8.027 8.027 8.260 -0.233 19751 2678 1 5 . 1 1 30 30 LYS N N 30 122.663 122.663 123.816 -1.153 19751 2679 1 5 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.469 -0.175 19751 2680 1 5 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.339 0.875 19751 2681 1 5 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.688 -0.516 19751 2682 1 5 . 1 1 30 30 LYS H H 30 8.223 8.223 8.467 -0.244 19751 2683 1 5 . 1 1 31 31 ARG N N 31 123.469 123.469 123.779 -0.310 19751 2684 1 5 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.518 -0.163 19751 2685 1 5 . 1 1 31 31 ARG CA C 31 56.295 56.295 56.369 -0.074 19751 2686 1 5 . 1 1 31 31 ARG CB C 31 31.854 31.854 30.450 1.405 19751 2687 1 5 . 1 1 31 31 ARG H H 31 8.404 8.404 8.635 -0.231 19751 2688 1 5 . 1 1 32 32 VAL N N 32 122.456 122.456 122.236 0.220 19751 2689 1 5 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.357 -0.114 19751 2690 1 5 . 1 1 32 32 VAL CA C 32 62.316 62.316 62.404 -0.088 19751 2691 1 5 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.671 -0.808 19751 2692 1 5 . 1 1 32 32 VAL H H 32 8.214 8.214 8.260 -0.046 19751 2693 1 5 . 1 1 33 33 ALA N N 33 127.685 127.685 129.184 -1.499 19751 2694 1 5 . 1 1 33 33 ALA HA H 33 4.302 4.302 5.282 -0.980 19751 2695 1 5 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.357 1.260 19751 2696 1 5 . 1 1 33 33 ALA CB C 33 19.308 19.308 21.378 -2.070 19751 2697 1 5 . 1 1 33 33 ALA H H 33 8.374 8.374 8.643 -0.269 19751 2698 1 5 . 1 1 34 34 ARG N N 34 119.922 119.922 121.847 -1.925 19751 2699 1 5 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.730 -0.407 19751 2700 1 5 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.817 1.003 19751 2701 1 5 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.166 -1.006 19751 2702 1 5 . 1 1 34 34 ARG H H 34 8.652 8.652 8.719 -0.067 19751 2703 1 5 . 1 1 35 35 SER N N 35 116.881 116.881 118.839 -1.958 19751 2704 1 5 . 1 1 35 35 SER HA H 35 4.543 4.543 4.466 0.077 19751 2705 1 5 . 1 1 35 35 SER CA C 35 58.440 58.440 58.096 0.344 19751 2706 1 5 . 1 1 35 35 SER CB C 35 64.094 64.094 63.685 0.409 19751 2707 1 5 . 1 1 35 35 SER H H 35 8.359 8.359 8.440 -0.081 19751 2708 1 5 . 1 1 36 36 LEU N N 36 124.595 124.595 122.366 2.229 19751 2709 1 5 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.162 0.211 19751 2710 1 5 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.077 0.517 19751 2711 1 5 . 1 1 36 36 LEU CB C 36 42.278 42.278 41.645 0.633 19751 2712 1 5 . 1 1 36 36 LEU H H 36 8.546 8.546 7.919 0.627 19751 2713 1 5 . 1 1 37 37 ASP N N 37 119.422 119.422 119.368 0.054 19751 2714 1 5 . 1 1 37 37 ASP HA H 37 4.592 4.592 4.785 -0.193 19751 2715 1 5 . 1 1 37 37 ASP CA C 37 54.308 54.308 54.451 -0.143 19751 2716 1 5 . 1 1 37 37 ASP CB C 37 41.182 41.182 40.353 0.829 19751 2717 1 5 . 1 1 37 37 ASP H H 37 8.186 8.186 8.167 0.019 19751 2718 1 5 . 1 1 38 38 SER N N 38 116.413 116.413 118.798 -2.385 19751 2719 1 5 . 1 1 38 38 SER HA H 38 4.450 4.450 4.759 -0.309 19751 2720 1 5 . 1 1 38 38 SER CA C 38 58.499 58.499 57.888 0.611 19751 2721 1 5 . 1 1 38 38 SER CB C 38 63.818 63.818 64.026 -0.208 19751 2722 1 5 . 1 1 38 38 SER H H 38 8.177 8.177 8.463 -0.286 19751 2723 1 5 . 1 1 39 39 LYS N N 39 123.095 123.095 121.274 1.821 19751 2724 1 5 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.730 -0.393 19751 2725 1 5 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.781 0.898 19751 2726 1 5 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.307 -1.075 19751 2727 1 5 . 1 1 39 39 LYS H H 39 8.379 8.379 8.569 -0.190 19751 2728 1 5 . 1 1 40 40 VAL N N 40 122.475 122.475 116.405 6.070 19751 2729 1 5 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.476 -0.088 19751 2730 1 5 . 1 1 40 40 VAL CA C 40 60.161 60.161 60.300 -0.140 19751 2731 1 5 . 1 1 40 40 VAL CB C 40 32.615 32.615 31.347 1.268 19751 2732 1 5 . 1 1 40 40 VAL H H 40 8.069 8.069 8.176 -0.107 19751 2733 1 5 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.493 -0.072 19751 2734 1 5 . 1 1 41 41 PRO CA C 41 62.758 62.758 62.972 -0.214 19751 2735 1 5 . 1 1 41 41 PRO CB C 41 32.307 32.307 32.533 -0.226 19751 2736 1 5 . 1 1 42 42 GLN N N 42 121.230 121.230 121.506 -0.276 19751 2737 1 5 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.275 0.004 19751 2738 1 5 . 1 1 42 42 GLN CA C 42 56.028 56.028 56.331 -0.303 19751 2739 1 5 . 1 1 42 42 GLN CB C 42 29.719 29.719 28.977 0.742 19751 2740 1 5 . 1 1 42 42 GLN H H 42 8.482 8.482 8.353 0.129 19751 2741 1 5 . 1 1 43 43 GLN N N 43 121.831 121.831 123.027 -1.196 19751 2742 1 5 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.317 0.072 19751 2743 1 5 . 1 1 43 43 GLN CA C 43 55.924 55.924 57.051 -1.127 19751 2744 1 5 . 1 1 43 43 GLN CB C 43 29.529 29.529 29.235 0.294 19751 2745 1 5 . 1 1 43 43 GLN H H 43 8.506 8.506 8.785 -0.279 19751 2746 1 5 . 1 1 44 44 THR N N 44 116.251 116.251 114.089 2.162 19751 2747 1 5 . 1 1 44 44 THR HA H 44 4.302 4.302 4.542 -0.240 19751 2748 1 5 . 1 1 44 44 THR CA C 44 61.922 61.922 61.334 0.588 19751 2749 1 5 . 1 1 44 44 THR CB C 44 69.811 69.811 70.654 -0.844 19751 2750 1 5 . 1 1 44 44 THR H H 44 8.231 8.231 7.730 0.501 19751 2751 1 5 . 1 1 45 45 LEU N N 45 125.046 125.046 123.583 1.463 19751 2752 1 5 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.598 -0.100 19751 2753 1 5 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.063 1.044 19751 2754 1 5 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.137 -0.325 19751 2755 1 5 . 1 1 45 45 LEU H H 45 8.257 8.257 8.323 -0.066 19751 2756 1 5 . 1 1 46 46 ARG N N 46 120.522 120.522 120.546 -0.024 19751 2757 1 5 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.421 -0.188 19751 2758 1 5 . 1 1 46 46 ARG CA C 46 56.464 56.464 56.793 -0.329 19751 2759 1 5 . 1 1 46 46 ARG CB C 46 29.971 29.971 30.898 -0.927 19751 2760 1 5 . 1 1 46 46 ARG H H 46 8.007 8.007 8.332 -0.325 19751 2761 1 5 . 1 1 47 47 ARG N N 47 121.010 121.010 121.295 -0.285 19751 2762 1 5 . 1 1 47 47 ARG H H 47 8.324 8.324 8.865 -0.541 19751 2763 1 5 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.265 1.075 19751 2764 1 5 . 1 1 49 49 ASP N N 49 120.513 120.513 124.233 -3.720 19751 2765 1 5 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.630 -0.011 19751 2766 1 5 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.830 0.500 19751 2767 1 5 . 1 1 49 49 ASP CB C 49 41.163 41.163 40.178 0.985 19751 2768 1 5 . 1 1 49 49 ASP H H 49 8.225 8.225 8.428 -0.203 19751 2769 1 5 . 1 1 50 50 VAL N N 50 119.718 119.718 122.388 -2.670 19751 2770 1 5 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.343 -0.271 19751 2771 1 5 . 1 1 50 50 VAL CA C 50 62.402 62.402 62.071 0.331 19751 2772 1 5 . 1 1 50 50 VAL CB C 50 32.794 32.794 32.524 0.270 19751 2773 1 5 . 1 1 50 50 VAL H H 50 8.024 8.024 7.963 0.061 19751 2774 1 5 . 1 1 51 51 LEU N N 51 125.249 125.249 126.180 -0.931 19751 2775 1 5 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.875 -0.529 19751 2776 1 5 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.161 1.209 19751 2777 1 5 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.742 -1.363 19751 2778 1 5 . 1 1 51 51 LEU H H 51 8.305 8.305 8.119 0.186 19751 2779 1 5 . 1 1 52 52 MET HA H 52 4.458 4.458 4.864 -0.406 19751 2780 1 5 . 1 1 52 52 MET CA C 52 55.417 55.417 55.597 -0.180 19751 2781 1 5 . 1 1 52 52 MET CB C 52 32.264 32.264 35.205 -2.941 19751 2782 1 5 . 1 1 53 53 GLN N N 53 121.447 121.447 120.737 0.710 19751 2783 1 5 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.536 -0.229 19751 2784 1 5 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.535 0.679 19751 2785 1 5 . 1 1 53 53 GLN CB C 53 29.697 29.697 29.382 0.315 19751 2786 1 5 . 1 1 53 53 GLN H H 53 8.373 8.373 8.618 -0.245 19751 2787 1 5 . 1 1 54 54 GLY N N 54 110.484 110.484 110.734 -0.250 19751 2788 1 5 . 1 1 54 54 GLY CA C 54 45.250 45.250 44.871 0.379 19751 2789 1 5 . 1 1 54 54 GLY H H 54 8.456 8.456 8.145 0.311 19751 2790 1 5 . 1 1 55 55 ALA N N 55 123.673 123.673 125.647 -1.974 19751 2791 1 5 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.654 -0.347 19751 2792 1 5 . 1 1 55 55 ALA C C 55 177.397 177.397 176.562 0.835 19751 2793 1 5 . 1 1 55 55 ALA CA C 55 52.617 52.617 51.789 0.828 19751 2794 1 5 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.624 -1.316 19751 2795 1 5 . 1 1 55 55 ALA H H 55 8.113 8.113 8.128 -0.015 19751 2796 1 5 . 1 1 56 56 ALA N N 56 123.295 123.295 125.572 -2.277 19751 2797 1 5 . 1 1 56 56 ALA HA H 56 4.303 4.303 4.636 -0.333 19751 2798 1 5 . 1 1 56 56 ALA C C 56 177.446 177.446 177.270 0.176 19751 2799 1 5 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.638 0.795 19751 2800 1 5 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.119 -0.811 19751 2801 1 5 . 1 1 56 56 ALA H H 56 8.297 8.297 8.164 0.133 19751 2802 1 5 . 1 1 57 57 SER N N 57 116.534 116.534 119.899 -3.365 19751 2803 1 5 . 1 1 57 57 SER HA H 57 4.737 4.737 4.692 0.045 19751 2804 1 5 . 1 1 57 57 SER CA C 57 56.332 56.332 57.393 -1.061 19751 2805 1 5 . 1 1 57 57 SER CB C 57 63.567 63.567 63.033 0.534 19751 2806 1 5 . 1 1 57 57 SER H H 57 8.258 8.258 8.459 -0.201 19751 2807 1 5 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.606 -0.204 19751 2808 1 5 . 1 1 58 58 PRO C C 58 176.874 176.874 175.501 1.373 19751 2809 1 5 . 1 1 58 58 PRO CA C 58 63.357 63.357 62.971 0.386 19751 2810 1 5 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.252 -0.217 19751 2811 1 5 . 1 1 59 59 GLU N N 59 120.545 120.545 117.816 2.729 19751 2812 1 5 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.920 -0.684 19751 2813 1 5 . 1 1 59 59 GLU C C 59 176.383 176.383 174.947 1.436 19751 2814 1 5 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.303 1.272 19751 2815 1 5 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.729 -1.626 19751 2816 1 5 . 1 1 59 59 GLU H H 59 8.556 8.556 8.488 0.068 19751 2817 1 5 . 1 1 60 60 LEU N N 60 122.946 122.946 118.518 4.428 19751 2818 1 5 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.706 -0.262 19751 2819 1 5 . 1 1 60 60 LEU C C 60 177.201 177.201 174.813 2.388 19751 2820 1 5 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.250 0.870 19751 2821 1 5 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.520 -1.232 19751 2822 1 5 . 1 1 60 60 LEU H H 60 8.205 8.205 8.250 -0.045 19751 2823 1 5 . 1 1 61 61 THR N N 61 115.168 115.168 115.409 -0.241 19751 2824 1 5 . 1 1 61 61 THR HA H 61 4.380 4.380 4.661 -0.281 19751 2825 1 5 . 1 1 61 61 THR C C 61 174.201 174.201 173.261 0.940 19751 2826 1 5 . 1 1 61 61 THR CA C 61 61.792 61.792 61.806 -0.014 19751 2827 1 5 . 1 1 61 61 THR CB C 61 69.770 69.770 69.573 0.197 19751 2828 1 5 . 1 1 61 61 THR H H 61 8.149 8.149 8.317 -0.168 19751 2829 1 5 . 1 1 62 62 VAL N N 62 121.650 121.650 124.508 -2.858 19751 2830 1 5 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.412 -0.093 19751 2831 1 5 . 1 1 62 62 VAL C C 62 175.921 175.921 173.652 2.269 19751 2832 1 5 . 1 1 62 62 VAL CA C 62 61.709 61.709 60.694 1.016 19751 2833 1 5 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.203 -0.848 19751 2834 1 5 . 1 1 62 62 VAL H H 62 8.091 8.091 8.083 0.008 19751 2835 1 5 . 1 1 63 63 SER N N 63 120.076 120.076 120.635 -0.559 19751 2836 1 5 . 1 1 63 63 SER HA H 63 4.542 4.542 4.687 -0.145 19751 2837 1 5 . 1 1 63 63 SER C C 63 174.254 174.254 172.827 1.427 19751 2838 1 5 . 1 1 63 63 SER CA C 63 58.375 58.375 58.157 0.217 19751 2839 1 5 . 1 1 63 63 SER CB C 63 64.196 64.196 64.473 -0.277 19751 2840 1 5 . 1 1 63 63 SER H H 63 8.524 8.524 8.348 0.176 19751 2841 1 5 . 1 1 64 64 GLY N N 64 109.912 109.912 112.745 -2.833 19751 2842 1 5 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.755 -0.371 19751 2843 1 5 . 1 1 64 64 GLY H H 64 8.255 8.255 8.571 -0.316 19751 2844 1 5 . 1 1 65 65 THR N N 65 114.200 114.200 115.745 -1.545 19751 2845 1 5 . 1 1 65 65 THR HA H 65 4.929 4.929 5.161 -0.232 19751 2846 1 5 . 1 1 65 65 THR CA C 65 60.826 60.826 61.505 -0.679 19751 2847 1 5 . 1 1 65 65 THR CB C 65 71.805 71.805 72.410 -0.605 19751 2848 1 5 . 1 1 65 65 THR H H 65 8.468 8.468 8.086 0.382 19751 2849 1 5 . 1 1 66 66 LEU N N 66 122.673 122.673 122.880 -0.207 19751 2850 1 5 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.788 0.133 19751 2851 1 5 . 1 1 66 66 LEU C C 66 174.364 174.364 174.574 -0.210 19751 2852 1 5 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.474 -1.064 19751 2853 1 5 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.637 -1.187 19751 2854 1 5 . 1 1 66 66 LEU H H 66 9.054 9.054 8.928 0.126 19751 2855 1 5 . 1 1 67 67 LEU N N 67 124.219 124.219 126.714 -2.495 19751 2856 1 5 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.759 0.449 19751 2857 1 5 . 1 1 67 67 LEU C C 67 177.107 177.107 175.566 1.541 19751 2858 1 5 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.394 -0.621 19751 2859 1 5 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.387 0.819 19751 2860 1 5 . 1 1 67 67 LEU H H 67 8.927 8.927 9.015 -0.088 19751 2861 1 5 . 1 1 68 68 VAL N N 68 121.113 121.113 124.887 -3.774 19751 2862 1 5 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.353 0.503 19751 2863 1 5 . 1 1 68 68 VAL C C 68 174.079 174.079 174.224 -0.145 19751 2864 1 5 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.470 0.388 19751 2865 1 5 . 1 1 68 68 VAL CB C 68 35.015 35.015 35.294 -0.279 19751 2866 1 5 . 1 1 68 68 VAL H H 68 9.345 9.345 8.798 0.547 19751 2867 1 5 . 1 1 69 69 GLU N N 69 127.682 127.682 130.989 -3.307 19751 2868 1 5 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.482 0.417 19751 2869 1 5 . 1 1 69 69 GLU C C 69 173.485 173.485 174.885 -1.400 19751 2870 1 5 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.009 -0.662 19751 2871 1 5 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.105 0.866 19751 2872 1 5 . 1 1 69 69 GLU H H 69 8.110 8.110 8.372 -0.262 19751 2873 1 5 . 1 1 70 70 ALA N N 70 130.042 130.042 127.550 2.492 19751 2874 1 5 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.473 0.091 19751 2875 1 5 . 1 1 70 70 ALA C C 70 174.853 174.853 174.974 -0.121 19751 2876 1 5 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.428 0.276 19751 2877 1 5 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.042 0.389 19751 2878 1 5 . 1 1 70 70 ALA H H 70 7.991 7.991 7.740 0.251 19751 2879 1 5 . 1 1 71 71 ASP N N 71 117.021 117.021 118.402 -1.381 19751 2880 1 5 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.656 -0.076 19751 2881 1 5 . 1 1 71 71 ASP C C 71 175.160 175.160 176.820 -1.660 19751 2882 1 5 . 1 1 71 71 ASP CA C 71 53.043 53.043 54.004 -0.961 19751 2883 1 5 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.408 -1.486 19751 2884 1 5 . 1 1 71 71 ASP H H 71 8.025 8.025 8.330 -0.305 19751 2885 1 5 . 1 1 72 72 ASP N N 72 119.867 119.867 121.170 -1.303 19751 2886 1 5 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.794 0.329 19751 2887 1 5 . 1 1 72 72 ASP C C 72 177.598 177.598 177.227 0.371 19751 2888 1 5 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.485 0.972 19751 2889 1 5 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.501 -0.512 19751 2890 1 5 . 1 1 72 72 ASP H H 72 8.644 8.644 8.648 -0.004 19751 2891 1 5 . 1 1 73 73 ALA N N 73 120.735 120.735 121.391 -0.656 19751 2892 1 5 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.044 -0.092 19751 2893 1 5 . 1 1 73 73 ALA C C 73 181.711 181.711 179.858 1.853 19751 2894 1 5 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.808 0.549 19751 2895 1 5 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.223 -0.402 19751 2896 1 5 . 1 1 73 73 ALA H H 73 8.212 8.212 8.321 -0.109 19751 2897 1 5 . 1 1 74 74 SER N N 74 116.971 116.971 113.455 3.516 19751 2898 1 5 . 1 1 74 74 SER HA H 74 4.207 4.207 4.226 -0.019 19751 2899 1 5 . 1 1 74 74 SER C C 74 176.918 176.918 176.290 0.628 19751 2900 1 5 . 1 1 74 74 SER CA C 74 61.632 61.632 60.275 1.357 19751 2901 1 5 . 1 1 74 74 SER CB C 74 62.233 62.233 62.976 -0.743 19751 2902 1 5 . 1 1 74 74 SER H H 74 8.376 8.376 7.475 0.901 19751 2903 1 5 . 1 1 75 75 ALA N N 75 124.844 124.844 124.847 -0.003 19751 2904 1 5 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.738 0.084 19751 2905 1 5 . 1 1 75 75 ALA C C 75 179.160 179.160 179.022 0.138 19751 2906 1 5 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.280 0.021 19751 2907 1 5 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.608 0.904 19751 2908 1 5 . 1 1 75 75 ALA H H 75 9.121 9.121 7.706 1.415 19751 2909 1 5 . 1 1 76 76 LYS N N 76 117.821 117.821 117.911 -0.090 19751 2910 1 5 . 1 1 76 76 LYS HA H 76 3.805 3.805 4.019 -0.214 19751 2911 1 5 . 1 1 76 76 LYS C C 76 179.175 179.175 178.620 0.555 19751 2912 1 5 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.290 0.848 19751 2913 1 5 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.842 0.520 19751 2914 1 5 . 1 1 76 76 LYS H H 76 8.306 8.306 7.850 0.456 19751 2915 1 5 . 1 1 77 77 ALA N N 77 122.703 122.703 121.053 1.650 19751 2916 1 5 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.152 0.038 19751 2917 1 5 . 1 1 77 77 ALA C C 77 180.868 180.868 179.616 1.252 19751 2918 1 5 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.603 0.549 19751 2919 1 5 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.282 -0.450 19751 2920 1 5 . 1 1 77 77 ALA H H 77 7.584 7.584 7.573 0.011 19751 2921 1 5 . 1 1 78 78 LEU N N 78 120.574 120.574 118.733 1.841 19751 2922 1 5 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.108 -0.072 19751 2923 1 5 . 1 1 78 78 LEU C C 78 178.870 178.870 179.013 -0.143 19751 2924 1 5 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.861 1.026 19751 2925 1 5 . 1 1 78 78 LEU CB C 78 42.479 42.479 42.017 0.462 19751 2926 1 5 . 1 1 78 78 LEU H H 78 8.338 8.338 7.799 0.539 19751 2927 1 5 . 1 1 79 79 ALA N N 79 121.156 121.156 121.211 -0.055 19751 2928 1 5 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.098 -0.203 19751 2929 1 5 . 1 1 79 79 ALA C C 79 179.393 179.393 179.064 0.329 19751 2930 1 5 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.209 0.551 19751 2931 1 5 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.424 -1.168 19751 2932 1 5 . 1 1 79 79 ALA H H 79 8.491 8.491 8.506 -0.015 19751 2933 1 5 . 1 1 80 80 THR N N 80 114.097 114.097 112.177 1.920 19751 2934 1 5 . 1 1 80 80 THR HA H 80 4.048 4.048 4.281 -0.233 19751 2935 1 5 . 1 1 80 80 THR C C 80 177.034 177.034 176.359 0.675 19751 2936 1 5 . 1 1 80 80 THR CA C 80 66.139 66.139 65.253 0.886 19751 2937 1 5 . 1 1 80 80 THR CB C 80 69.243 69.243 68.904 0.339 19751 2938 1 5 . 1 1 80 80 THR H H 80 8.111 8.111 7.724 0.387 19751 2939 1 5 . 1 1 81 81 ARG N N 81 121.321 121.321 120.407 0.914 19751 2940 1 5 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.158 -0.215 19751 2941 1 5 . 1 1 81 81 ARG C C 81 177.546 177.546 178.109 -0.563 19751 2942 1 5 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.443 0.597 19751 2943 1 5 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.320 0.403 19751 2944 1 5 . 1 1 81 81 ARG H H 81 7.893 7.893 7.564 0.329 19751 2945 1 5 . 1 1 82 82 HIS N N 82 113.320 113.320 115.051 -1.731 19751 2946 1 5 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.497 0.212 19751 2947 1 5 . 1 1 82 82 HIS C C 82 174.918 174.918 175.919 -1.001 19751 2948 1 5 . 1 1 82 82 HIS CA C 82 56.162 56.162 56.544 -0.382 19751 2949 1 5 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.330 1.178 19751 2950 1 5 . 1 1 82 82 HIS H H 82 7.684 7.684 7.905 -0.221 19751 2951 1 5 . 1 1 83 83 GLY N N 83 109.763 109.763 106.300 3.463 19751 2952 1 5 . 1 1 83 83 GLY C C 83 174.866 174.866 174.083 0.783 19751 2953 1 5 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.909 2.368 19751 2954 1 5 . 1 1 83 83 GLY H H 83 7.707 7.707 7.741 -0.034 19751 2955 1 5 . 1 1 84 84 LEU N N 84 119.225 119.225 119.288 -0.063 19751 2956 1 5 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.483 0.351 19751 2957 1 5 . 1 1 84 84 LEU C C 84 174.880 174.880 176.405 -1.525 19751 2958 1 5 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.103 -1.234 19751 2959 1 5 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.778 2.305 19751 2960 1 5 . 1 1 84 84 LEU H H 84 8.672 8.672 7.315 1.357 19751 2961 1 5 . 1 1 85 85 ASN N N 85 117.042 117.042 117.533 -0.491 19751 2962 1 5 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.898 0.270 19751 2963 1 5 . 1 1 85 85 ASN C C 85 175.212 175.212 173.999 1.213 19751 2964 1 5 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.292 -0.434 19751 2965 1 5 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.949 -0.067 19751 2966 1 5 . 1 1 85 85 ASN H H 85 8.955 8.955 8.367 0.588 19751 2967 1 5 . 1 1 86 86 PHE N N 86 126.957 126.957 127.195 -0.238 19751 2968 1 5 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.551 -0.110 19751 2969 1 5 . 1 1 86 86 PHE C C 86 173.744 173.744 174.903 -1.159 19751 2970 1 5 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.679 0.927 19751 2971 1 5 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.015 0.049 19751 2972 1 5 . 1 1 86 86 PHE H H 86 9.221 9.221 8.940 0.281 19751 2973 1 5 . 1 1 87 87 LYS N N 87 129.305 129.305 126.981 2.324 19751 2974 1 5 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.232 0.119 19751 2975 1 5 . 1 1 87 87 LYS C C 87 175.203 175.203 176.276 -1.073 19751 2976 1 5 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.150 0.547 19751 2977 1 5 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.311 0.263 19751 2978 1 5 . 1 1 87 87 LYS H H 87 8.397 8.397 8.874 -0.477 19751 2979 1 5 . 1 1 88 88 GLN N N 88 110.785 110.785 116.539 -5.754 19751 2980 1 5 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.491 -0.100 19751 2981 1 5 . 1 1 88 88 GLN C C 88 185.308 185.308 173.773 11.535 19751 2982 1 5 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.987 -0.235 19751 2983 1 5 . 1 1 88 88 GLN H H 88 6.855 6.855 8.027 -1.172 19751 2984 1 5 . 1 1 89 89 SER N N 89 113.927 113.927 114.355 -0.428 19751 2985 1 5 . 1 1 89 89 SER HA H 89 5.298 5.298 5.338 -0.040 19751 2986 1 5 . 1 1 89 89 SER C C 89 173.757 173.757 174.220 -0.463 19751 2987 1 5 . 1 1 89 89 SER CA C 89 56.776 56.776 56.819 -0.043 19751 2988 1 5 . 1 1 89 89 SER CB C 89 67.417 67.417 66.459 0.958 19751 2989 1 5 . 1 1 89 89 SER H H 89 8.718 8.718 8.516 0.202 19751 2990 1 5 . 1 1 90 90 SER N N 90 114.246 114.246 118.705 -4.459 19751 2991 1 5 . 1 1 90 90 SER HA H 90 4.597 4.597 4.552 0.045 19751 2992 1 5 . 1 1 90 90 SER CA C 90 58.356 58.356 58.605 -0.249 19751 2993 1 5 . 1 1 90 90 SER CB C 90 63.952 63.952 62.633 1.319 19751 2994 1 5 . 1 1 90 90 SER H H 90 8.479 8.479 8.891 -0.412 19751 2995 1 5 . 1 1 91 91 GLY N N 91 116.101 116.101 109.477 6.624 19751 2996 1 5 . 1 1 91 91 GLY C C 91 174.853 174.853 175.029 -0.176 19751 2997 1 5 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.058 2.097 19751 2998 1 5 . 1 1 91 91 GLY H H 91 8.490 8.490 7.896 0.594 19751 2999 1 5 . 1 1 92 92 GLY N N 92 107.199 107.199 107.974 -0.775 19751 3000 1 5 . 1 1 92 92 GLY CA C 92 44.666 44.666 44.994 -0.328 19751 3001 1 5 . 1 1 92 92 GLY H H 92 8.914 8.914 8.239 0.675 19751 3002 1 5 . 1 1 93 93 ILE N N 93 118.958 118.958 115.019 3.939 19751 3003 1 5 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.845 -0.107 19751 3004 1 5 . 1 1 93 93 ILE C C 93 175.050 175.050 173.430 1.620 19751 3005 1 5 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.663 -1.129 19751 3006 1 5 . 1 1 93 93 ILE CB C 93 38.109 38.109 40.920 -2.811 19751 3007 1 5 . 1 1 93 93 ILE H H 93 7.540 7.540 7.533 0.007 19751 3008 1 5 . 1 1 94 94 ALA N N 94 131.032 131.032 129.009 2.023 19751 3009 1 5 . 1 1 94 94 ALA HA H 94 4.728 4.728 4.936 -0.208 19751 3010 1 5 . 1 1 94 94 ALA C C 94 174.512 174.512 177.535 -3.023 19751 3011 1 5 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.757 -0.319 19751 3012 1 5 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.309 2.503 19751 3013 1 5 . 1 1 94 94 ALA H H 94 9.561 9.561 9.086 0.475 19751 3014 1 5 . 1 1 95 95 LEU N N 95 123.066 123.066 124.761 -1.695 19751 3015 1 5 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.774 0.189 19751 3016 1 5 . 1 1 95 95 LEU C C 95 174.922 174.922 175.917 -0.995 19751 3017 1 5 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.263 0.252 19751 3018 1 5 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.409 2.796 19751 3019 1 5 . 1 1 95 95 LEU H H 95 8.641 8.641 8.539 0.102 19751 3020 1 5 . 1 1 96 96 LEU N N 96 124.843 124.843 124.565 0.278 19751 3021 1 5 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.921 0.250 19751 3022 1 5 . 1 1 96 96 LEU C C 96 175.059 175.059 177.009 -1.950 19751 3023 1 5 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.772 -1.133 19751 3024 1 5 . 1 1 96 96 LEU CB C 96 44.269 44.269 42.819 1.450 19751 3025 1 5 . 1 1 96 96 LEU H H 96 9.235 9.235 8.470 0.765 19751 3026 1 5 . 1 1 97 97 GLU N N 97 121.306 121.306 120.724 0.582 19751 3027 1 5 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.801 0.058 19751 3028 1 5 . 1 1 97 97 GLU C C 97 175.343 175.343 175.469 -0.126 19751 3029 1 5 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.935 0.156 19751 3030 1 5 . 1 1 97 97 GLU CB C 97 33.415 33.415 31.095 2.320 19751 3031 1 5 . 1 1 97 97 GLU H H 97 9.113 9.113 8.616 0.497 19751 3032 1 5 . 1 1 98 98 ALA N N 98 126.658 126.658 128.463 -1.805 19751 3033 1 5 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.340 0.434 19751 3034 1 5 . 1 1 98 98 ALA C C 98 176.880 176.880 177.163 -0.283 19751 3035 1 5 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.649 -1.054 19751 3036 1 5 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.730 1.653 19751 3037 1 5 . 1 1 98 98 ALA H H 98 8.731 8.731 8.665 0.066 19751 3038 1 5 . 1 1 99 99 LYS N N 99 121.674 121.674 122.238 -0.564 19751 3039 1 5 . 1 1 99 99 LYS H H 99 8.636 8.636 8.211 0.425 19751 3040 1 5 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.258 0.204 19751 3041 1 5 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.839 -0.351 19751 3042 1 5 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.910 1.276 19751 3043 1 5 . 1 1 101 101 GLY N N 101 110.695 110.695 114.423 -3.728 19751 3044 1 5 . 1 1 101 101 GLY C C 101 174.676 174.676 174.470 0.206 19751 3045 1 5 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.879 0.304 19751 3046 1 5 . 1 1 101 101 GLY H H 101 8.709 8.709 8.321 0.388 19751 3047 1 5 . 1 1 102 102 THR N N 102 116.771 116.771 118.513 -1.742 19751 3048 1 5 . 1 1 102 102 THR HA H 102 4.134 4.134 4.373 -0.239 19751 3049 1 5 . 1 1 102 102 THR CA C 102 62.998 62.998 63.157 -0.159 19751 3050 1 5 . 1 1 102 102 THR CB C 102 69.736 69.736 69.686 0.050 19751 3051 1 5 . 1 1 102 102 THR H H 102 7.652 7.652 7.611 0.041 19751 3052 1 5 . 1 1 103 103 ASP N N 103 125.950 125.950 127.151 -1.201 19751 3053 1 5 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.835 -0.131 19751 3054 1 5 . 1 1 103 103 ASP C C 103 175.907 175.907 177.123 -1.216 19751 3055 1 5 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.755 -1.008 19751 3056 1 5 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.280 0.707 19751 3057 1 5 . 1 1 103 103 ASP H H 103 8.849 8.849 8.702 0.147 19751 3058 1 5 . 1 1 104 104 LEU N N 104 127.195 127.195 120.093 7.102 19751 3059 1 5 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.891 -0.020 19751 3060 1 5 . 1 1 104 104 LEU C C 104 178.528 178.528 177.938 0.590 19751 3061 1 5 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.111 -0.683 19751 3062 1 5 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.461 0.721 19751 3063 1 5 . 1 1 104 104 LEU H H 104 8.464 8.464 7.490 0.974 19751 3064 1 5 . 1 1 105 105 ASN N N 105 116.748 116.748 117.500 -0.752 19751 3065 1 5 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.321 0.016 19751 3066 1 5 . 1 1 105 105 ASN C C 105 177.999 177.999 177.001 0.998 19751 3067 1 5 . 1 1 105 105 ASN CA C 105 56.542 56.542 55.985 0.557 19751 3068 1 5 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.531 0.694 19751 3069 1 5 . 1 1 105 105 ASN H H 105 8.225 8.225 8.364 -0.139 19751 3070 1 5 . 1 1 106 106 ALA N N 106 123.704 123.704 121.648 2.056 19751 3071 1 5 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.132 -0.046 19751 3072 1 5 . 1 1 106 106 ALA C C 106 181.021 181.021 179.396 1.625 19751 3073 1 5 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.321 0.563 19751 3074 1 5 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.487 -0.504 19751 3075 1 5 . 1 1 106 106 ALA H H 106 7.810 7.810 7.487 0.323 19751 3076 1 5 . 1 1 107 107 ILE N N 107 118.676 118.676 119.303 -0.627 19751 3077 1 5 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.470 0.184 19751 3078 1 5 . 1 1 107 107 ILE C C 107 177.324 177.324 178.328 -1.004 19751 3079 1 5 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.854 -1.019 19751 3080 1 5 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.448 0.159 19751 3081 1 5 . 1 1 107 107 ILE H H 107 7.582 7.582 7.377 0.205 19751 3082 1 5 . 1 1 108 108 ALA N N 108 122.550 122.550 121.915 0.635 19751 3083 1 5 . 1 1 108 108 ALA HA H 108 3.801 3.801 4.017 -0.216 19751 3084 1 5 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.630 0.448 19751 3085 1 5 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.960 -0.023 19751 3086 1 5 . 1 1 108 108 ALA H H 108 8.551 8.551 7.735 0.816 19751 3087 1 5 . 1 1 109 109 THR N N 109 113.975 113.975 112.686 1.289 19751 3088 1 5 . 1 1 109 109 THR HA H 109 3.806 3.806 4.042 -0.236 19751 3089 1 5 . 1 1 109 109 THR C C 109 176.632 176.632 176.291 0.341 19751 3090 1 5 . 1 1 109 109 THR CA C 109 67.362 67.362 66.651 0.711 19751 3091 1 5 . 1 1 109 109 THR CB C 109 68.554 68.554 68.495 0.060 19751 3092 1 5 . 1 1 109 109 THR H H 109 8.197 8.197 7.391 0.806 19751 3093 1 5 . 1 1 110 110 LYS N N 110 123.603 123.603 120.913 2.690 19751 3094 1 5 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.203 -0.126 19751 3095 1 5 . 1 1 110 110 LYS C C 110 179.640 179.640 177.689 1.951 19751 3096 1 5 . 1 1 110 110 LYS CA C 110 59.365 59.365 58.422 0.943 19751 3097 1 5 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.498 -0.427 19751 3098 1 5 . 1 1 110 110 LYS H H 110 7.656 7.656 7.725 -0.069 19751 3099 1 5 . 1 1 111 111 LEU N N 111 120.492 120.492 119.428 1.064 19751 3100 1 5 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.197 -0.340 19751 3101 1 5 . 1 1 111 111 LEU C C 111 179.289 179.289 178.910 0.379 19751 3102 1 5 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.785 0.330 19751 3103 1 5 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.993 -0.878 19751 3104 1 5 . 1 1 111 111 LEU H H 111 8.441 8.441 7.489 0.952 19751 3105 1 5 . 1 1 112 112 LYS N N 112 120.305 120.305 118.851 1.454 19751 3106 1 5 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.204 0.237 19751 3107 1 5 . 1 1 112 112 LYS C C 112 181.574 181.574 178.943 2.631 19751 3108 1 5 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.981 0.630 19751 3109 1 5 . 1 1 112 112 LYS CB C 112 32.293 32.293 32.010 0.283 19751 3110 1 5 . 1 1 112 112 LYS H H 112 8.452 8.452 7.940 0.512 19751 3111 1 5 . 1 1 113 113 SER N N 113 116.992 116.992 114.480 2.512 19751 3112 1 5 . 1 1 113 113 SER HA H 113 4.389 4.389 4.254 0.135 19751 3113 1 5 . 1 1 113 113 SER C C 113 175.200 175.200 175.857 -0.657 19751 3114 1 5 . 1 1 113 113 SER CA C 113 61.260 61.260 60.694 0.566 19751 3115 1 5 . 1 1 113 113 SER CB C 113 62.863 62.863 63.068 -0.205 19751 3116 1 5 . 1 1 113 113 SER H H 113 7.995 7.995 7.900 0.095 19751 3117 1 5 . 1 1 114 114 GLU N N 114 120.677 120.677 118.509 2.168 19751 3118 1 5 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.394 0.037 19751 3119 1 5 . 1 1 114 114 GLU C C 114 176.506 176.506 177.005 -0.499 19751 3120 1 5 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.673 -0.361 19751 3121 1 5 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.803 -1.406 19751 3122 1 5 . 1 1 114 114 GLU H H 114 7.577 7.577 7.956 -0.379 19751 3123 1 5 . 1 1 115 115 GLY N N 115 107.383 107.383 107.980 -0.597 19751 3124 1 5 . 1 1 115 115 GLY C C 115 174.019 174.019 173.554 0.465 19751 3125 1 5 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.713 0.785 19751 3126 1 5 . 1 1 115 115 GLY H H 115 7.947 7.947 7.715 0.232 19751 3127 1 5 . 1 1 116 116 VAL N N 116 121.389 121.389 120.907 0.482 19751 3128 1 5 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.175 -0.043 19751 3129 1 5 . 1 1 116 116 VAL C C 116 175.092 175.092 174.754 0.338 19751 3130 1 5 . 1 1 116 116 VAL CA C 116 61.077 61.077 61.244 -0.167 19751 3131 1 5 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.280 0.763 19751 3132 1 5 . 1 1 116 116 VAL H H 116 7.704 7.704 7.460 0.244 19751 3133 1 5 . 1 1 117 117 ASN N N 117 125.670 125.670 126.931 -1.261 19751 3134 1 5 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.766 0.028 19751 3135 1 5 . 1 1 117 117 ASN C C 117 173.847 173.847 174.255 -0.408 19751 3136 1 5 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.465 -0.261 19751 3137 1 5 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.663 -0.662 19751 3138 1 5 . 1 1 117 117 ASN H H 117 9.161 9.161 8.708 0.453 19751 3139 1 5 . 1 1 118 118 VAL N N 118 121.648 121.648 118.740 2.908 19751 3140 1 5 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.088 0.185 19751 3141 1 5 . 1 1 118 118 VAL C C 118 173.553 173.553 174.176 -0.623 19751 3142 1 5 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.166 -0.661 19751 3143 1 5 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.378 -0.289 19751 3144 1 5 . 1 1 118 118 VAL H H 118 7.811 7.811 7.780 0.031 19751 3145 1 5 . 1 1 119 119 GLN N N 119 124.298 124.298 120.357 3.941 19751 3146 1 5 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.681 -0.028 19751 3147 1 5 . 1 1 119 119 GLN C C 119 174.263 174.263 174.105 0.158 19751 3148 1 5 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.191 0.052 19751 3149 1 5 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.392 0.134 19751 3150 1 5 . 1 1 119 119 GLN H H 119 8.746 8.746 8.288 0.458 19751 3151 1 5 . 1 1 120 120 ILE N N 120 122.997 122.997 127.287 -4.290 19751 3152 1 5 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.212 0.236 19751 3153 1 5 . 1 1 120 120 ILE C C 120 175.616 175.616 175.562 0.054 19751 3154 1 5 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.177 0.780 19751 3155 1 5 . 1 1 120 120 ILE CB C 120 39.930 39.930 35.912 4.018 19751 3156 1 5 . 1 1 120 120 ILE H H 120 8.670 8.670 8.556 0.114 19751 3157 1 5 . 1 1 121 121 GLU N N 121 128.460 128.460 127.882 0.578 19751 3158 1 5 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.482 0.013 19751 3159 1 5 . 1 1 121 121 GLU C C 121 175.490 175.490 174.406 1.084 19751 3160 1 5 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.770 0.879 19751 3161 1 5 . 1 1 121 121 GLU CB C 121 31.190 31.190 31.949 -0.759 19751 3162 1 5 . 1 1 121 121 GLU H H 121 8.641 8.641 8.109 0.532 19751 3163 1 5 . 1 1 122 122 LEU N N 122 126.756 126.756 122.206 4.550 19751 3164 1 5 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.631 -0.052 19751 3165 1 5 . 1 1 122 122 LEU C C 122 177.291 177.291 176.596 0.695 19751 3166 1 5 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.529 0.983 19751 3167 1 5 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.715 -2.293 19751 3168 1 5 . 1 1 122 122 LEU H H 122 8.642 8.642 8.385 0.257 19751 3169 1 5 . 1 1 123 123 SER N N 123 117.273 117.273 115.266 2.007 19751 3170 1 5 . 1 1 123 123 SER HA H 123 4.430 4.430 4.671 -0.241 19751 3171 1 5 . 1 1 123 123 SER C C 123 175.066 175.066 174.791 0.275 19751 3172 1 5 . 1 1 123 123 SER CA C 123 58.499 58.499 57.573 0.926 19751 3173 1 5 . 1 1 123 123 SER CB C 123 63.946 63.946 63.352 0.594 19751 3174 1 5 . 1 1 123 123 SER H H 123 8.496 8.496 8.565 -0.069 19751 3175 1 5 . 1 1 124 124 GLY N N 124 111.280 111.280 108.484 2.796 19751 3176 1 5 . 1 1 124 124 GLY C C 124 174.099 174.099 174.031 0.068 19751 3177 1 5 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.055 -0.676 19751 3178 1 5 . 1 1 124 124 GLY H H 124 8.566 8.566 7.932 0.634 19751 3179 1 5 . 1 1 125 125 ALA N N 125 123.586 123.586 123.650 -0.064 19751 3180 1 5 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.180 0.127 19751 3181 1 5 . 1 1 125 125 ALA C C 125 177.915 177.915 177.884 0.031 19751 3182 1 5 . 1 1 125 125 ALA CA C 125 52.617 52.617 53.688 -1.071 19751 3183 1 5 . 1 1 125 125 ALA CB C 125 19.308 19.308 18.741 0.568 19751 3184 1 5 . 1 1 125 125 ALA H H 125 8.158 8.158 8.418 -0.260 19751 3185 1 5 . 1 1 126 126 GLU N N 126 120.076 120.076 118.522 1.554 19751 3186 1 5 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.395 -0.044 19751 3187 1 5 . 1 1 126 126 GLU C C 126 176.544 176.544 175.866 0.678 19751 3188 1 5 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.174 1.709 19751 3189 1 5 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.302 0.308 19751 3190 1 5 . 1 1 126 126 GLU H H 126 8.524 8.524 8.013 0.511 19751 3191 1 5 . 1 1 127 127 GLN N N 127 121.453 121.453 119.770 1.683 19751 3192 1 5 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.312 -0.005 19751 3193 1 5 . 1 1 127 127 GLN C C 127 175.691 175.691 175.856 -0.165 19751 3194 1 5 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.809 -0.230 19751 3195 1 5 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.543 0.160 19751 3196 1 5 . 1 1 127 127 GLN H H 127 8.356 8.356 8.367 -0.011 19751 3197 1 5 . 1 1 128 128 GLN N N 128 122.570 122.570 118.817 3.753 19751 3198 1 5 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.681 -0.096 19751 3199 1 5 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.968 -0.224 19751 3200 1 5 . 1 1 128 128 GLN CB C 128 28.864 28.864 30.129 -1.265 19751 3201 1 5 . 1 1 128 128 GLN H H 128 8.348 8.348 8.480 -0.132 19751 3202 1 5 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.519 -0.118 19751 3203 1 5 . 1 1 129 129 PRO C C 129 175.988 175.988 177.036 -1.048 19751 3204 1 5 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.617 0.832 19751 3205 1 5 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.186 -0.229 19751 3206 1 6 . 1 1 2 2 GLU N N 2 122.196 122.196 122.027 0.169 19751 3207 1 6 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.553 -0.318 19751 3208 1 6 . 1 1 2 2 GLU C C 2 175.712 175.712 175.753 -0.041 19751 3209 1 6 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.749 -0.117 19751 3210 1 6 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.424 -0.453 19751 3211 1 6 . 1 1 2 2 GLU H H 2 8.617 8.617 8.431 0.186 19751 3212 1 6 . 1 1 3 3 SER N N 3 116.623 116.623 117.221 -0.598 19751 3213 1 6 . 1 1 3 3 SER HA H 3 4.597 4.597 4.644 -0.047 19751 3214 1 6 . 1 1 3 3 SER C C 3 174.294 174.294 174.245 0.049 19751 3215 1 6 . 1 1 3 3 SER CA C 3 58.386 58.386 57.999 0.387 19751 3216 1 6 . 1 1 3 3 SER CB C 3 64.039 64.039 64.441 -0.402 19751 3217 1 6 . 1 1 3 3 SER H H 3 8.305 8.305 8.417 -0.112 19751 3218 1 6 . 1 1 4 4 VAL N N 4 121.759 121.759 123.070 -1.311 19751 3219 1 6 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.144 0.165 19751 3220 1 6 . 1 1 4 4 VAL C C 4 176.177 176.177 175.429 0.748 19751 3221 1 6 . 1 1 4 4 VAL CA C 4 61.709 61.709 62.964 -1.255 19751 3222 1 6 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.227 1.128 19751 3223 1 6 . 1 1 4 4 VAL H H 4 8.303 8.303 8.587 -0.284 19751 3224 1 6 . 1 1 5 5 THR N N 5 118.335 118.335 115.740 2.595 19751 3225 1 6 . 1 1 5 5 THR HA H 5 4.592 4.592 4.144 0.448 19751 3226 1 6 . 1 1 5 5 THR C C 5 173.579 173.579 174.057 -0.478 19751 3227 1 6 . 1 1 5 5 THR CA C 5 62.022 62.022 63.379 -1.357 19751 3228 1 6 . 1 1 5 5 THR CB C 5 70.047 70.047 67.978 2.069 19751 3229 1 6 . 1 1 5 5 THR H H 5 8.319 8.319 7.844 0.475 19751 3230 1 6 . 1 1 6 6 MET N N 6 123.858 123.858 119.229 4.629 19751 3231 1 6 . 1 1 6 6 MET CA C 6 57.260 57.260 57.048 0.212 19751 3232 1 6 . 1 1 6 6 MET CB C 6 33.780 33.780 32.663 1.117 19751 3233 1 6 . 1 1 6 6 MET H H 6 8.035 8.035 7.940 0.095 19751 3234 1 6 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.761 -0.264 19751 3235 1 6 . 1 1 7 7 ASP CA C 7 55.150 55.150 53.447 1.703 19751 3236 1 6 . 1 1 7 7 ASP CB C 7 41.264 41.264 41.983 -0.719 19751 3237 1 6 . 1 1 8 8 GLY N N 8 114.130 114.130 109.197 4.933 19751 3238 1 6 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.939 0.674 19751 3239 1 6 . 1 1 8 8 GLY H H 8 8.386 8.386 8.387 -0.001 19751 3240 1 6 . 1 1 9 9 LYS N N 9 120.803 120.803 120.802 0.001 19751 3241 1 6 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.708 -0.364 19751 3242 1 6 . 1 1 9 9 LYS H H 9 8.021 8.021 8.375 -0.354 19751 3243 1 6 . 1 1 10 10 GLN N N 10 120.522 120.522 118.649 1.873 19751 3244 1 6 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.744 -0.277 19751 3245 1 6 . 1 1 10 10 GLN CA C 10 55.281 55.281 54.719 0.562 19751 3246 1 6 . 1 1 10 10 GLN CB C 10 30.410 30.410 31.129 -0.719 19751 3247 1 6 . 1 1 10 10 GLN H H 10 8.246 8.246 8.236 0.010 19751 3248 1 6 . 1 1 11 11 TYR N N 11 121.213 121.213 119.958 1.255 19751 3249 1 6 . 1 1 11 11 TYR HA H 11 4.299 4.299 5.206 -0.907 19751 3250 1 6 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.459 -0.510 19751 3251 1 6 . 1 1 11 11 TYR CB C 11 43.274 43.274 41.894 1.380 19751 3252 1 6 . 1 1 11 11 TYR H H 11 8.873 8.873 9.079 -0.206 19751 3253 1 6 . 1 1 12 12 SER N N 12 117.406 117.406 115.307 2.099 19751 3254 1 6 . 1 1 12 12 SER HA H 12 4.715 4.715 4.792 -0.077 19751 3255 1 6 . 1 1 12 12 SER CA C 12 57.374 57.374 57.749 -0.375 19751 3256 1 6 . 1 1 12 12 SER CB C 12 63.946 63.946 64.546 -0.601 19751 3257 1 6 . 1 1 12 12 SER H H 12 9.047 9.047 8.485 0.562 19751 3258 1 6 . 1 1 13 13 THR N N 13 112.091 112.091 117.794 -5.703 19751 3259 1 6 . 1 1 13 13 THR HA H 13 4.929 4.929 4.668 0.261 19751 3260 1 6 . 1 1 13 13 THR CA C 13 60.716 60.716 62.091 -1.375 19751 3261 1 6 . 1 1 13 13 THR CB C 13 71.808 71.808 69.409 2.399 19751 3262 1 6 . 1 1 13 13 THR H H 13 8.235 8.235 8.136 0.099 19751 3263 1 6 . 1 1 14 14 ILE N N 14 120.891 120.891 119.970 0.921 19751 3264 1 6 . 1 1 14 14 ILE H H 14 9.108 9.108 7.860 1.248 19751 3265 1 6 . 1 1 15 15 GLU N N 15 127.598 127.598 121.887 5.711 19751 3266 1 6 . 1 1 15 15 GLU H H 15 8.300 8.300 8.341 -0.041 19751 3267 1 6 . 1 1 16 16 VAL N N 16 126.224 126.224 124.120 2.104 19751 3268 1 6 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.096 0.188 19751 3269 1 6 . 1 1 16 16 VAL CA C 16 61.835 61.835 62.237 -0.402 19751 3270 1 6 . 1 1 16 16 VAL CB C 16 34.896 34.896 31.534 3.362 19751 3271 1 6 . 1 1 16 16 VAL H H 16 9.320 9.320 8.746 0.574 19751 3272 1 6 . 1 1 17 17 ASN N N 17 123.394 123.394 127.034 -3.640 19751 3273 1 6 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.455 0.709 19751 3274 1 6 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.982 -0.433 19751 3275 1 6 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.094 0.121 19751 3276 1 6 . 1 1 17 17 ASN H H 17 9.310 9.310 9.356 -0.046 19751 3277 1 6 . 1 1 18 18 GLY H H 18 9.024 9.024 8.316 0.708 19751 3278 1 6 . 1 1 19 19 GLN N N 19 119.994 119.994 119.305 0.689 19751 3279 1 6 . 1 1 19 19 GLN H H 19 7.990 7.990 7.843 0.147 19751 3280 1 6 . 1 1 20 20 THR N N 20 117.472 117.472 113.635 3.837 19751 3281 1 6 . 1 1 20 20 THR HA H 20 4.384 4.384 4.653 -0.269 19751 3282 1 6 . 1 1 20 20 THR CA C 20 63.334 63.334 60.770 2.564 19751 3283 1 6 . 1 1 20 20 THR CB C 20 69.401 69.401 70.209 -0.808 19751 3284 1 6 . 1 1 20 20 THR H H 20 8.401 8.401 8.420 -0.019 19751 3285 1 6 . 1 1 21 21 TYR N N 21 126.847 126.847 119.456 7.391 19751 3286 1 6 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.841 -0.679 19751 3287 1 6 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.448 0.039 19751 3288 1 6 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.077 4.253 19751 3289 1 6 . 1 1 21 21 TYR H H 21 9.367 9.367 8.273 1.094 19751 3290 1 6 . 1 1 22 22 LEU N N 22 118.537 118.537 126.418 -7.881 19751 3291 1 6 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.678 -0.486 19751 3292 1 6 . 1 1 22 22 LEU CA C 22 56.922 56.922 53.859 3.063 19751 3293 1 6 . 1 1 22 22 LEU CB C 22 43.212 43.212 44.775 -1.563 19751 3294 1 6 . 1 1 22 22 LEU H H 22 9.060 9.060 8.377 0.683 19751 3295 1 6 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.510 -0.119 19751 3296 1 6 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.923 0.411 19751 3297 1 6 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.138 0.002 19751 3298 1 6 . 1 1 25 25 ASP N N 25 121.554 121.554 123.322 -1.768 19751 3299 1 6 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.769 -0.177 19751 3300 1 6 . 1 1 25 25 ASP CA C 25 54.308 54.308 54.254 0.054 19751 3301 1 6 . 1 1 25 25 ASP CB C 25 41.087 41.087 42.362 -1.275 19751 3302 1 6 . 1 1 25 25 ASP H H 25 8.324 8.324 8.573 -0.249 19751 3303 1 6 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.716 0.023 19751 3304 1 6 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.331 -0.675 19751 3305 1 6 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.445 -0.313 19751 3306 1 6 . 1 1 27 27 GLY N N 27 109.206 109.206 109.006 0.200 19751 3307 1 6 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.387 1.027 19751 3308 1 6 . 1 1 27 27 GLY H H 27 8.494 8.494 8.894 -0.400 19751 3309 1 6 . 1 1 28 28 SER N N 28 116.238 116.238 116.911 -0.673 19751 3310 1 6 . 1 1 28 28 SER HA H 28 4.384 4.384 4.997 -0.613 19751 3311 1 6 . 1 1 28 28 SER CA C 28 60.226 60.226 57.619 2.607 19751 3312 1 6 . 1 1 28 28 SER CB C 28 63.818 63.818 64.824 -1.006 19751 3313 1 6 . 1 1 28 28 SER H H 28 8.372 8.372 8.643 -0.271 19751 3314 1 6 . 1 1 29 29 LYS N N 29 121.905 121.905 122.646 -0.741 19751 3315 1 6 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.751 -0.420 19751 3316 1 6 . 1 1 29 29 LYS CA C 29 56.353 56.353 55.557 0.796 19751 3317 1 6 . 1 1 29 29 LYS CB C 29 33.347 33.347 34.650 -1.303 19751 3318 1 6 . 1 1 29 29 LYS H H 29 8.027 8.027 8.532 -0.505 19751 3319 1 6 . 1 1 30 30 LYS N N 30 122.663 122.663 122.070 0.593 19751 3320 1 6 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.360 -0.066 19751 3321 1 6 . 1 1 30 30 LYS CA C 30 56.214 56.214 56.375 -0.161 19751 3322 1 6 . 1 1 30 30 LYS CB C 30 33.171 33.171 34.179 -1.008 19751 3323 1 6 . 1 1 30 30 LYS H H 30 8.223 8.223 8.511 -0.288 19751 3324 1 6 . 1 1 31 31 ARG N N 31 123.469 123.469 126.047 -2.578 19751 3325 1 6 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.652 -0.297 19751 3326 1 6 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.791 0.504 19751 3327 1 6 . 1 1 31 31 ARG CB C 31 31.854 31.854 30.552 1.302 19751 3328 1 6 . 1 1 31 31 ARG H H 31 8.404 8.404 8.420 -0.016 19751 3329 1 6 . 1 1 32 32 VAL N N 32 122.456 122.456 120.311 2.145 19751 3330 1 6 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.453 -0.210 19751 3331 1 6 . 1 1 32 32 VAL CA C 32 62.316 62.316 62.438 -0.122 19751 3332 1 6 . 1 1 32 32 VAL CB C 32 32.863 32.863 34.039 -1.176 19751 3333 1 6 . 1 1 32 32 VAL H H 32 8.214 8.214 8.568 -0.354 19751 3334 1 6 . 1 1 33 33 ALA N N 33 127.685 127.685 128.681 -0.996 19751 3335 1 6 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.509 -0.207 19751 3336 1 6 . 1 1 33 33 ALA CA C 33 52.617 52.617 52.396 0.221 19751 3337 1 6 . 1 1 33 33 ALA CB C 33 19.308 19.308 19.598 -0.290 19751 3338 1 6 . 1 1 33 33 ALA H H 33 8.374 8.374 8.220 0.154 19751 3339 1 6 . 1 1 34 34 ARG N N 34 119.922 119.922 121.589 -1.667 19751 3340 1 6 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.838 -0.515 19751 3341 1 6 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.900 0.920 19751 3342 1 6 . 1 1 34 34 ARG CB C 34 30.160 30.160 30.532 -0.372 19751 3343 1 6 . 1 1 34 34 ARG H H 34 8.652 8.652 8.861 -0.209 19751 3344 1 6 . 1 1 35 35 SER N N 35 116.881 116.881 117.270 -0.389 19751 3345 1 6 . 1 1 35 35 SER HA H 35 4.543 4.543 4.611 -0.068 19751 3346 1 6 . 1 1 35 35 SER CA C 35 58.440 58.440 57.738 0.702 19751 3347 1 6 . 1 1 35 35 SER CB C 35 64.094 64.094 63.988 0.106 19751 3348 1 6 . 1 1 35 35 SER H H 35 8.359 8.359 8.509 -0.150 19751 3349 1 6 . 1 1 36 36 LEU N N 36 124.595 124.595 120.943 3.652 19751 3350 1 6 . 1 1 36 36 LEU HA H 36 4.373 4.373 5.267 -0.894 19751 3351 1 6 . 1 1 36 36 LEU CA C 36 55.594 55.594 54.336 1.258 19751 3352 1 6 . 1 1 36 36 LEU CB C 36 42.278 42.278 44.168 -1.890 19751 3353 1 6 . 1 1 36 36 LEU H H 36 8.546 8.546 8.593 -0.047 19751 3354 1 6 . 1 1 37 37 ASP N N 37 119.422 119.422 121.336 -1.914 19751 3355 1 6 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.301 -0.709 19751 3356 1 6 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.595 0.713 19751 3357 1 6 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.600 -1.418 19751 3358 1 6 . 1 1 37 37 ASP H H 37 8.186 8.186 9.223 -1.037 19751 3359 1 6 . 1 1 38 38 SER N N 38 116.413 116.413 117.407 -0.994 19751 3360 1 6 . 1 1 38 38 SER HA H 38 4.450 4.450 4.649 -0.199 19751 3361 1 6 . 1 1 38 38 SER CA C 38 58.499 58.499 59.286 -0.787 19751 3362 1 6 . 1 1 38 38 SER CB C 38 63.818 63.818 63.462 0.356 19751 3363 1 6 . 1 1 38 38 SER H H 38 8.177 8.177 8.734 -0.557 19751 3364 1 6 . 1 1 39 39 LYS N N 39 123.095 123.095 123.365 -0.270 19751 3365 1 6 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.531 -0.194 19751 3366 1 6 . 1 1 39 39 LYS CA C 39 56.679 56.679 56.506 0.173 19751 3367 1 6 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.136 -0.904 19751 3368 1 6 . 1 1 39 39 LYS H H 39 8.379 8.379 8.288 0.091 19751 3369 1 6 . 1 1 40 40 VAL N N 40 122.475 122.475 121.899 0.576 19751 3370 1 6 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.264 0.124 19751 3371 1 6 . 1 1 40 40 VAL CA C 40 60.161 60.161 60.618 -0.457 19751 3372 1 6 . 1 1 40 40 VAL CB C 40 32.615 32.615 32.963 -0.348 19751 3373 1 6 . 1 1 40 40 VAL H H 40 8.069 8.069 8.562 -0.493 19751 3374 1 6 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.589 -0.168 19751 3375 1 6 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.002 -0.243 19751 3376 1 6 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.688 1.619 19751 3377 1 6 . 1 1 42 42 GLN N N 42 121.230 121.230 122.664 -1.434 19751 3378 1 6 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.446 -0.167 19751 3379 1 6 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.572 0.457 19751 3380 1 6 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.359 -0.640 19751 3381 1 6 . 1 1 42 42 GLN H H 42 8.482 8.482 8.403 0.079 19751 3382 1 6 . 1 1 43 43 GLN N N 43 121.831 121.831 122.641 -0.810 19751 3383 1 6 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.676 -0.287 19751 3384 1 6 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.053 -0.129 19751 3385 1 6 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.306 -0.777 19751 3386 1 6 . 1 1 43 43 GLN H H 43 8.506 8.506 8.791 -0.285 19751 3387 1 6 . 1 1 44 44 THR N N 44 116.251 116.251 117.727 -1.476 19751 3388 1 6 . 1 1 44 44 THR HA H 44 4.302 4.302 4.519 -0.217 19751 3389 1 6 . 1 1 44 44 THR CA C 44 61.922 61.922 62.210 -0.288 19751 3390 1 6 . 1 1 44 44 THR CB C 44 69.811 69.811 69.475 0.336 19751 3391 1 6 . 1 1 44 44 THR H H 44 8.231 8.231 8.241 -0.010 19751 3392 1 6 . 1 1 45 45 LEU N N 45 125.046 125.046 123.849 1.197 19751 3393 1 6 . 1 1 45 45 LEU HA H 45 4.498 4.498 5.176 -0.678 19751 3394 1 6 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.223 0.884 19751 3395 1 6 . 1 1 45 45 LEU CB C 45 42.812 42.812 44.108 -1.296 19751 3396 1 6 . 1 1 45 45 LEU H H 45 8.257 8.257 8.761 -0.504 19751 3397 1 6 . 1 1 46 46 ARG N N 46 120.522 120.522 121.412 -0.890 19751 3398 1 6 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.175 -0.942 19751 3399 1 6 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.406 1.058 19751 3400 1 6 . 1 1 46 46 ARG CB C 46 29.971 29.971 32.080 -2.109 19751 3401 1 6 . 1 1 46 46 ARG H H 46 8.007 8.007 8.964 -0.957 19751 3402 1 6 . 1 1 47 47 ARG N N 47 121.010 121.010 121.337 -0.327 19751 3403 1 6 . 1 1 47 47 ARG H H 47 8.324 8.324 9.273 -0.949 19751 3404 1 6 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.957 0.383 19751 3405 1 6 . 1 1 49 49 ASP N N 49 120.513 120.513 124.534 -4.021 19751 3406 1 6 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.663 -0.044 19751 3407 1 6 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.834 0.496 19751 3408 1 6 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.040 -0.877 19751 3409 1 6 . 1 1 49 49 ASP H H 49 8.225 8.225 8.118 0.107 19751 3410 1 6 . 1 1 50 50 VAL N N 50 119.718 119.718 123.973 -4.255 19751 3411 1 6 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.601 -0.529 19751 3412 1 6 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.576 0.826 19751 3413 1 6 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.735 -0.941 19751 3414 1 6 . 1 1 50 50 VAL H H 50 8.024 8.024 8.281 -0.257 19751 3415 1 6 . 1 1 51 51 LEU N N 51 125.249 125.249 123.740 1.509 19751 3416 1 6 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.756 -0.410 19751 3417 1 6 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.888 0.482 19751 3418 1 6 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.556 -1.177 19751 3419 1 6 . 1 1 51 51 LEU H H 51 8.305 8.305 8.075 0.230 19751 3420 1 6 . 1 1 52 52 MET HA H 52 4.458 4.458 5.022 -0.564 19751 3421 1 6 . 1 1 52 52 MET CA C 52 55.417 55.417 55.061 0.356 19751 3422 1 6 . 1 1 52 52 MET CB C 52 32.264 32.264 34.743 -2.479 19751 3423 1 6 . 1 1 53 53 GLN N N 53 121.447 121.447 121.343 0.104 19751 3424 1 6 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.171 -0.864 19751 3425 1 6 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.803 0.411 19751 3426 1 6 . 1 1 53 53 GLN CB C 53 29.697 29.697 31.812 -2.115 19751 3427 1 6 . 1 1 53 53 GLN H H 53 8.373 8.373 9.288 -0.915 19751 3428 1 6 . 1 1 54 54 GLY N N 54 110.484 110.484 108.680 1.804 19751 3429 1 6 . 1 1 54 54 GLY CA C 54 45.250 45.250 44.926 0.324 19751 3430 1 6 . 1 1 54 54 GLY H H 54 8.456 8.456 8.915 -0.459 19751 3431 1 6 . 1 1 55 55 ALA N N 55 123.673 123.673 123.713 -0.040 19751 3432 1 6 . 1 1 55 55 ALA HA H 55 4.307 4.307 5.365 -1.058 19751 3433 1 6 . 1 1 55 55 ALA C C 55 177.397 177.397 177.363 0.034 19751 3434 1 6 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.742 -0.125 19751 3435 1 6 . 1 1 55 55 ALA CB C 55 19.308 19.308 19.817 -0.509 19751 3436 1 6 . 1 1 55 55 ALA H H 55 8.113 8.113 10.470 -2.357 19751 3437 1 6 . 1 1 56 56 ALA N N 56 123.295 123.295 124.923 -1.628 19751 3438 1 6 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.313 -1.010 19751 3439 1 6 . 1 1 56 56 ALA C C 56 177.446 177.446 176.153 1.293 19751 3440 1 6 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.526 0.907 19751 3441 1 6 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.795 -1.487 19751 3442 1 6 . 1 1 56 56 ALA H H 56 8.297 8.297 9.559 -1.262 19751 3443 1 6 . 1 1 57 57 SER N N 57 116.534 116.534 115.072 1.462 19751 3444 1 6 . 1 1 57 57 SER HA H 57 4.737 4.737 4.683 0.054 19751 3445 1 6 . 1 1 57 57 SER CA C 57 56.332 56.332 57.698 -1.366 19751 3446 1 6 . 1 1 57 57 SER CB C 57 63.567 63.567 62.674 0.893 19751 3447 1 6 . 1 1 57 57 SER H H 57 8.258 8.258 8.657 -0.399 19751 3448 1 6 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.810 -0.408 19751 3449 1 6 . 1 1 58 58 PRO C C 58 176.874 176.874 175.804 1.070 19751 3450 1 6 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.364 -0.007 19751 3451 1 6 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.757 -0.722 19751 3452 1 6 . 1 1 59 59 GLU N N 59 120.545 120.545 121.442 -0.897 19751 3453 1 6 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.472 -0.236 19751 3454 1 6 . 1 1 59 59 GLU C C 59 176.383 176.383 174.406 1.977 19751 3455 1 6 . 1 1 59 59 GLU CA C 59 56.575 56.575 56.431 0.144 19751 3456 1 6 . 1 1 59 59 GLU CB C 59 30.103 30.103 30.946 -0.843 19751 3457 1 6 . 1 1 59 59 GLU H H 59 8.556 8.556 8.588 -0.032 19751 3458 1 6 . 1 1 60 60 LEU N N 60 122.946 122.946 123.299 -0.353 19751 3459 1 6 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.778 -0.334 19751 3460 1 6 . 1 1 60 60 LEU C C 60 177.201 177.201 176.073 1.128 19751 3461 1 6 . 1 1 60 60 LEU CA C 60 55.120 55.120 55.204 -0.084 19751 3462 1 6 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.325 -1.037 19751 3463 1 6 . 1 1 60 60 LEU H H 60 8.205 8.205 8.411 -0.206 19751 3464 1 6 . 1 1 61 61 THR N N 61 115.168 115.168 114.717 0.451 19751 3465 1 6 . 1 1 61 61 THR HA H 61 4.380 4.380 4.533 -0.153 19751 3466 1 6 . 1 1 61 61 THR C C 61 174.201 174.201 173.528 0.673 19751 3467 1 6 . 1 1 61 61 THR CA C 61 61.792 61.792 61.895 -0.103 19751 3468 1 6 . 1 1 61 61 THR CB C 61 69.770 69.770 69.884 -0.114 19751 3469 1 6 . 1 1 61 61 THR H H 61 8.149 8.149 8.382 -0.233 19751 3470 1 6 . 1 1 62 62 VAL N N 62 121.650 121.650 125.091 -3.441 19751 3471 1 6 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.356 -0.037 19751 3472 1 6 . 1 1 62 62 VAL C C 62 175.921 175.921 173.667 2.254 19751 3473 1 6 . 1 1 62 62 VAL CA C 62 61.709 61.709 60.565 1.144 19751 3474 1 6 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.805 -1.450 19751 3475 1 6 . 1 1 62 62 VAL H H 62 8.091 8.091 8.131 -0.040 19751 3476 1 6 . 1 1 63 63 SER N N 63 120.076 120.076 120.685 -0.609 19751 3477 1 6 . 1 1 63 63 SER HA H 63 4.542 4.542 4.757 -0.215 19751 3478 1 6 . 1 1 63 63 SER C C 63 174.254 174.254 172.992 1.262 19751 3479 1 6 . 1 1 63 63 SER CA C 63 58.375 58.375 57.479 0.896 19751 3480 1 6 . 1 1 63 63 SER CB C 63 64.196 64.196 65.072 -0.876 19751 3481 1 6 . 1 1 63 63 SER H H 63 8.524 8.524 8.266 0.258 19751 3482 1 6 . 1 1 64 64 GLY N N 64 109.912 109.912 111.317 -1.405 19751 3483 1 6 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.798 -0.414 19751 3484 1 6 . 1 1 64 64 GLY H H 64 8.255 8.255 8.547 -0.292 19751 3485 1 6 . 1 1 65 65 THR N N 65 114.200 114.200 115.975 -1.775 19751 3486 1 6 . 1 1 65 65 THR HA H 65 4.929 4.929 5.149 -0.220 19751 3487 1 6 . 1 1 65 65 THR CA C 65 60.826 60.826 61.732 -0.906 19751 3488 1 6 . 1 1 65 65 THR CB C 65 71.805 71.805 72.501 -0.696 19751 3489 1 6 . 1 1 65 65 THR H H 65 8.468 8.468 8.030 0.438 19751 3490 1 6 . 1 1 66 66 LEU N N 66 122.673 122.673 124.128 -1.455 19751 3491 1 6 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.886 0.035 19751 3492 1 6 . 1 1 66 66 LEU C C 66 174.364 174.364 174.640 -0.276 19751 3493 1 6 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.102 -0.692 19751 3494 1 6 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.454 -1.004 19751 3495 1 6 . 1 1 66 66 LEU H H 66 9.054 9.054 8.944 0.110 19751 3496 1 6 . 1 1 67 67 LEU N N 67 124.219 124.219 126.825 -2.606 19751 3497 1 6 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.821 0.387 19751 3498 1 6 . 1 1 67 67 LEU C C 67 177.107 177.107 175.810 1.297 19751 3499 1 6 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.364 -0.591 19751 3500 1 6 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.494 0.712 19751 3501 1 6 . 1 1 67 67 LEU H H 67 8.927 8.927 9.168 -0.241 19751 3502 1 6 . 1 1 68 68 VAL N N 68 121.113 121.113 125.776 -4.663 19751 3503 1 6 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.290 0.566 19751 3504 1 6 . 1 1 68 68 VAL C C 68 174.079 174.079 174.112 -0.033 19751 3505 1 6 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.944 -0.086 19751 3506 1 6 . 1 1 68 68 VAL CB C 68 35.015 35.015 35.432 -0.417 19751 3507 1 6 . 1 1 68 68 VAL H H 68 9.345 9.345 8.817 0.528 19751 3508 1 6 . 1 1 69 69 GLU N N 69 127.682 127.682 130.761 -3.079 19751 3509 1 6 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.748 0.151 19751 3510 1 6 . 1 1 69 69 GLU C C 69 173.485 173.485 175.045 -1.560 19751 3511 1 6 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.227 -0.880 19751 3512 1 6 . 1 1 69 69 GLU CB C 69 28.971 28.971 29.143 -0.172 19751 3513 1 6 . 1 1 69 69 GLU H H 69 8.110 8.110 8.645 -0.535 19751 3514 1 6 . 1 1 70 70 ALA N N 70 130.042 130.042 128.281 1.761 19751 3515 1 6 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.530 0.034 19751 3516 1 6 . 1 1 70 70 ALA C C 70 174.853 174.853 175.635 -0.782 19751 3517 1 6 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.412 0.292 19751 3518 1 6 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.136 0.295 19751 3519 1 6 . 1 1 70 70 ALA H H 70 7.991 7.991 7.720 0.271 19751 3520 1 6 . 1 1 71 71 ASP N N 71 117.021 117.021 119.904 -2.883 19751 3521 1 6 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.698 -0.118 19751 3522 1 6 . 1 1 71 71 ASP C C 71 175.160 175.160 177.058 -1.898 19751 3523 1 6 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.625 -0.582 19751 3524 1 6 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.503 -1.581 19751 3525 1 6 . 1 1 71 71 ASP H H 71 8.025 8.025 8.483 -0.458 19751 3526 1 6 . 1 1 72 72 ASP N N 72 119.867 119.867 120.517 -0.650 19751 3527 1 6 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.703 0.420 19751 3528 1 6 . 1 1 72 72 ASP C C 72 177.598 177.598 177.685 -0.087 19751 3529 1 6 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.648 0.810 19751 3530 1 6 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.579 -0.590 19751 3531 1 6 . 1 1 72 72 ASP H H 72 8.644 8.644 8.667 -0.023 19751 3532 1 6 . 1 1 73 73 ALA N N 73 120.735 120.735 121.103 -0.368 19751 3533 1 6 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.086 -0.134 19751 3534 1 6 . 1 1 73 73 ALA C C 73 181.711 181.711 179.969 1.742 19751 3535 1 6 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.881 0.476 19751 3536 1 6 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.260 -0.439 19751 3537 1 6 . 1 1 73 73 ALA H H 73 8.212 8.212 8.270 -0.058 19751 3538 1 6 . 1 1 74 74 SER N N 74 116.971 116.971 114.146 2.825 19751 3539 1 6 . 1 1 74 74 SER HA H 74 4.207 4.207 4.205 0.002 19751 3540 1 6 . 1 1 74 74 SER C C 74 176.918 176.918 176.328 0.590 19751 3541 1 6 . 1 1 74 74 SER CA C 74 61.632 61.632 61.095 0.537 19751 3542 1 6 . 1 1 74 74 SER CB C 74 62.233 62.233 63.171 -0.938 19751 3543 1 6 . 1 1 74 74 SER H H 74 8.376 8.376 7.349 1.027 19751 3544 1 6 . 1 1 75 75 ALA N N 75 124.844 124.844 125.027 -0.183 19751 3545 1 6 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.753 0.069 19751 3546 1 6 . 1 1 75 75 ALA C C 75 179.160 179.160 179.018 0.142 19751 3547 1 6 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.266 0.035 19751 3548 1 6 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.665 0.847 19751 3549 1 6 . 1 1 75 75 ALA H H 75 9.121 9.121 7.844 1.277 19751 3550 1 6 . 1 1 76 76 LYS N N 76 117.821 117.821 117.846 -0.025 19751 3551 1 6 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.984 -0.179 19751 3552 1 6 . 1 1 76 76 LYS C C 76 179.175 179.175 178.580 0.595 19751 3553 1 6 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.290 0.848 19751 3554 1 6 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.828 0.534 19751 3555 1 6 . 1 1 76 76 LYS H H 76 8.306 8.306 7.741 0.565 19751 3556 1 6 . 1 1 77 77 ALA N N 77 122.703 122.703 121.378 1.325 19751 3557 1 6 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.111 0.079 19751 3558 1 6 . 1 1 77 77 ALA C C 77 180.868 180.868 179.713 1.155 19751 3559 1 6 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.722 0.430 19751 3560 1 6 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.205 -0.373 19751 3561 1 6 . 1 1 77 77 ALA H H 77 7.584 7.584 7.561 0.023 19751 3562 1 6 . 1 1 78 78 LEU N N 78 120.574 120.574 118.535 2.039 19751 3563 1 6 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.104 -0.068 19751 3564 1 6 . 1 1 78 78 LEU C C 78 178.870 178.870 179.108 -0.238 19751 3565 1 6 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.858 1.030 19751 3566 1 6 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.941 0.538 19751 3567 1 6 . 1 1 78 78 LEU H H 78 8.338 8.338 7.701 0.637 19751 3568 1 6 . 1 1 79 79 ALA N N 79 121.156 121.156 121.649 -0.493 19751 3569 1 6 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.106 -0.211 19751 3570 1 6 . 1 1 79 79 ALA C C 79 179.393 179.393 179.076 0.317 19751 3571 1 6 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.354 0.406 19751 3572 1 6 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.407 -1.151 19751 3573 1 6 . 1 1 79 79 ALA H H 79 8.491 8.491 8.405 0.086 19751 3574 1 6 . 1 1 80 80 THR N N 80 114.097 114.097 111.845 2.252 19751 3575 1 6 . 1 1 80 80 THR HA H 80 4.048 4.048 4.254 -0.206 19751 3576 1 6 . 1 1 80 80 THR C C 80 177.034 177.034 176.393 0.641 19751 3577 1 6 . 1 1 80 80 THR CA C 80 66.139 66.139 65.476 0.663 19751 3578 1 6 . 1 1 80 80 THR CB C 80 69.243 69.243 69.148 0.095 19751 3579 1 6 . 1 1 80 80 THR H H 80 8.111 8.111 7.888 0.223 19751 3580 1 6 . 1 1 81 81 ARG N N 81 121.321 121.321 120.617 0.704 19751 3581 1 6 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.188 -0.245 19751 3582 1 6 . 1 1 81 81 ARG C C 81 177.546 177.546 178.013 -0.467 19751 3583 1 6 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.260 0.780 19751 3584 1 6 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.373 0.350 19751 3585 1 6 . 1 1 81 81 ARG H H 81 7.893 7.893 7.596 0.297 19751 3586 1 6 . 1 1 82 82 HIS N N 82 113.320 113.320 115.080 -1.760 19751 3587 1 6 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.506 0.203 19751 3588 1 6 . 1 1 82 82 HIS C C 82 174.918 174.918 175.915 -0.997 19751 3589 1 6 . 1 1 82 82 HIS CA C 82 56.162 56.162 56.616 -0.454 19751 3590 1 6 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.352 1.156 19751 3591 1 6 . 1 1 82 82 HIS H H 82 7.684 7.684 7.903 -0.219 19751 3592 1 6 . 1 1 83 83 GLY N N 83 109.763 109.763 106.175 3.588 19751 3593 1 6 . 1 1 83 83 GLY C C 83 174.866 174.866 174.194 0.672 19751 3594 1 6 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.900 2.377 19751 3595 1 6 . 1 1 83 83 GLY H H 83 7.707 7.707 7.729 -0.022 19751 3596 1 6 . 1 1 84 84 LEU N N 84 119.225 119.225 119.429 -0.204 19751 3597 1 6 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.588 0.246 19751 3598 1 6 . 1 1 84 84 LEU C C 84 174.880 174.880 176.407 -1.527 19751 3599 1 6 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.108 -1.239 19751 3600 1 6 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.730 2.353 19751 3601 1 6 . 1 1 84 84 LEU H H 84 8.672 8.672 7.336 1.336 19751 3602 1 6 . 1 1 85 85 ASN N N 85 117.042 117.042 117.200 -0.158 19751 3603 1 6 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.894 0.274 19751 3604 1 6 . 1 1 85 85 ASN C C 85 175.212 175.212 174.125 1.087 19751 3605 1 6 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.141 -0.283 19751 3606 1 6 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.681 0.201 19751 3607 1 6 . 1 1 85 85 ASN H H 85 8.955 8.955 8.401 0.554 19751 3608 1 6 . 1 1 86 86 PHE N N 86 126.957 126.957 126.826 0.131 19751 3609 1 6 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.480 -0.039 19751 3610 1 6 . 1 1 86 86 PHE C C 86 173.744 173.744 174.801 -1.057 19751 3611 1 6 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.910 0.696 19751 3612 1 6 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.081 -0.017 19751 3613 1 6 . 1 1 86 86 PHE H H 86 9.221 9.221 8.964 0.257 19751 3614 1 6 . 1 1 87 87 LYS N N 87 129.305 129.305 128.933 0.372 19751 3615 1 6 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.098 0.253 19751 3616 1 6 . 1 1 87 87 LYS C C 87 175.203 175.203 175.807 -0.604 19751 3617 1 6 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.899 -0.202 19751 3618 1 6 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.776 -0.202 19751 3619 1 6 . 1 1 87 87 LYS H H 87 8.397 8.397 8.733 -0.336 19751 3620 1 6 . 1 1 88 88 GLN N N 88 110.785 110.785 115.606 -4.821 19751 3621 1 6 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.416 -0.025 19751 3622 1 6 . 1 1 88 88 GLN C C 88 185.308 185.308 173.719 11.589 19751 3623 1 6 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.659 0.094 19751 3624 1 6 . 1 1 88 88 GLN H H 88 6.855 6.855 7.747 -0.892 19751 3625 1 6 . 1 1 89 89 SER N N 89 113.927 113.927 114.307 -0.380 19751 3626 1 6 . 1 1 89 89 SER HA H 89 5.298 5.298 5.208 0.090 19751 3627 1 6 . 1 1 89 89 SER C C 89 173.757 173.757 174.031 -0.274 19751 3628 1 6 . 1 1 89 89 SER CA C 89 56.776 56.776 57.188 -0.412 19751 3629 1 6 . 1 1 89 89 SER CB C 89 67.417 67.417 66.649 0.768 19751 3630 1 6 . 1 1 89 89 SER H H 89 8.718 8.718 8.516 0.202 19751 3631 1 6 . 1 1 90 90 SER N N 90 114.246 114.246 117.234 -2.988 19751 3632 1 6 . 1 1 90 90 SER HA H 90 4.597 4.597 4.606 -0.009 19751 3633 1 6 . 1 1 90 90 SER CA C 90 58.356 58.356 58.516 -0.160 19751 3634 1 6 . 1 1 90 90 SER CB C 90 63.952 63.952 63.560 0.392 19751 3635 1 6 . 1 1 90 90 SER H H 90 8.479 8.479 8.451 0.028 19751 3636 1 6 . 1 1 91 91 GLY N N 91 116.101 116.101 109.370 6.731 19751 3637 1 6 . 1 1 91 91 GLY C C 91 174.853 174.853 174.267 0.586 19751 3638 1 6 . 1 1 91 91 GLY CA C 91 47.155 47.155 46.157 0.998 19751 3639 1 6 . 1 1 91 91 GLY H H 91 8.490 8.490 8.128 0.362 19751 3640 1 6 . 1 1 92 92 GLY N N 92 107.199 107.199 106.167 1.032 19751 3641 1 6 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.196 -0.530 19751 3642 1 6 . 1 1 92 92 GLY H H 92 8.914 8.914 8.143 0.771 19751 3643 1 6 . 1 1 93 93 ILE N N 93 118.958 118.958 117.954 1.004 19751 3644 1 6 . 1 1 93 93 ILE HA H 93 4.738 4.738 5.046 -0.308 19751 3645 1 6 . 1 1 93 93 ILE C C 93 175.050 175.050 173.861 1.189 19751 3646 1 6 . 1 1 93 93 ILE CA C 93 58.535 58.535 58.980 -0.445 19751 3647 1 6 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.068 -2.959 19751 3648 1 6 . 1 1 93 93 ILE H H 93 7.540 7.540 7.617 -0.077 19751 3649 1 6 . 1 1 94 94 ALA N N 94 131.032 131.032 128.847 2.185 19751 3650 1 6 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.174 -0.446 19751 3651 1 6 . 1 1 94 94 ALA C C 94 174.512 174.512 177.309 -2.797 19751 3652 1 6 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.154 0.284 19751 3653 1 6 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.974 1.838 19751 3654 1 6 . 1 1 94 94 ALA H H 94 9.561 9.561 9.151 0.410 19751 3655 1 6 . 1 1 95 95 LEU N N 95 123.066 123.066 124.463 -1.397 19751 3656 1 6 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.775 0.188 19751 3657 1 6 . 1 1 95 95 LEU C C 95 174.922 174.922 175.841 -0.919 19751 3658 1 6 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.433 0.082 19751 3659 1 6 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.576 2.629 19751 3660 1 6 . 1 1 95 95 LEU H H 95 8.641 8.641 8.313 0.328 19751 3661 1 6 . 1 1 96 96 LEU N N 96 124.843 124.843 124.675 0.168 19751 3662 1 6 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.017 0.154 19751 3663 1 6 . 1 1 96 96 LEU C C 96 175.059 175.059 177.075 -2.016 19751 3664 1 6 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.503 -0.864 19751 3665 1 6 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.203 1.065 19751 3666 1 6 . 1 1 96 96 LEU H H 96 9.235 9.235 8.678 0.557 19751 3667 1 6 . 1 1 97 97 GLU N N 97 121.306 121.306 120.572 0.734 19751 3668 1 6 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.681 0.178 19751 3669 1 6 . 1 1 97 97 GLU C C 97 175.343 175.343 175.515 -0.172 19751 3670 1 6 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.854 0.237 19751 3671 1 6 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.773 2.642 19751 3672 1 6 . 1 1 97 97 GLU H H 97 9.113 9.113 8.560 0.553 19751 3673 1 6 . 1 1 98 98 ALA N N 98 126.658 126.658 127.976 -1.318 19751 3674 1 6 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.350 0.424 19751 3675 1 6 . 1 1 98 98 ALA C C 98 176.880 176.880 177.148 -0.268 19751 3676 1 6 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.545 -0.950 19751 3677 1 6 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.566 1.817 19751 3678 1 6 . 1 1 98 98 ALA H H 98 8.731 8.731 8.506 0.225 19751 3679 1 6 . 1 1 99 99 LYS N N 99 121.674 121.674 122.619 -0.945 19751 3680 1 6 . 1 1 99 99 LYS H H 99 8.636 8.636 8.177 0.459 19751 3681 1 6 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.266 0.196 19751 3682 1 6 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.832 -0.344 19751 3683 1 6 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.864 1.322 19751 3684 1 6 . 1 1 101 101 GLY N N 101 110.695 110.695 114.514 -3.819 19751 3685 1 6 . 1 1 101 101 GLY C C 101 174.676 174.676 174.516 0.160 19751 3686 1 6 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.855 0.328 19751 3687 1 6 . 1 1 101 101 GLY H H 101 8.709 8.709 8.290 0.419 19751 3688 1 6 . 1 1 102 102 THR N N 102 116.771 116.771 117.954 -1.183 19751 3689 1 6 . 1 1 102 102 THR HA H 102 4.134 4.134 4.419 -0.285 19751 3690 1 6 . 1 1 102 102 THR CA C 102 62.998 62.998 62.746 0.252 19751 3691 1 6 . 1 1 102 102 THR CB C 102 69.736 69.736 69.808 -0.072 19751 3692 1 6 . 1 1 102 102 THR H H 102 7.652 7.652 7.579 0.073 19751 3693 1 6 . 1 1 103 103 ASP N N 103 125.950 125.950 123.026 2.924 19751 3694 1 6 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.776 -0.072 19751 3695 1 6 . 1 1 103 103 ASP C C 103 175.907 175.907 177.132 -1.225 19751 3696 1 6 . 1 1 103 103 ASP CA C 103 52.747 52.747 52.987 -0.240 19751 3697 1 6 . 1 1 103 103 ASP CB C 103 39.987 39.987 38.661 1.326 19751 3698 1 6 . 1 1 103 103 ASP H H 103 8.849 8.849 8.576 0.273 19751 3699 1 6 . 1 1 104 104 LEU N N 104 127.195 127.195 118.389 8.806 19751 3700 1 6 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.860 0.011 19751 3701 1 6 . 1 1 104 104 LEU C C 104 178.528 178.528 178.147 0.381 19751 3702 1 6 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.160 -0.732 19751 3703 1 6 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.387 0.795 19751 3704 1 6 . 1 1 104 104 LEU H H 104 8.464 8.464 7.435 1.029 19751 3705 1 6 . 1 1 105 105 ASN N N 105 116.748 116.748 116.586 0.162 19751 3706 1 6 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.387 -0.050 19751 3707 1 6 . 1 1 105 105 ASN C C 105 177.999 177.999 176.672 1.327 19751 3708 1 6 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.372 0.170 19751 3709 1 6 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.290 -0.065 19751 3710 1 6 . 1 1 105 105 ASN H H 105 8.225 8.225 8.404 -0.179 19751 3711 1 6 . 1 1 106 106 ALA N N 106 123.704 123.704 122.503 1.201 19751 3712 1 6 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.224 -0.138 19751 3713 1 6 . 1 1 106 106 ALA C C 106 181.021 181.021 179.075 1.946 19751 3714 1 6 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.088 0.796 19751 3715 1 6 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.843 -0.860 19751 3716 1 6 . 1 1 106 106 ALA H H 106 7.810 7.810 7.547 0.263 19751 3717 1 6 . 1 1 107 107 ILE N N 107 118.676 118.676 119.421 -0.745 19751 3718 1 6 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.429 0.225 19751 3719 1 6 . 1 1 107 107 ILE C C 107 177.324 177.324 178.473 -1.149 19751 3720 1 6 . 1 1 107 107 ILE CA C 107 63.835 63.835 65.183 -1.348 19751 3721 1 6 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.396 0.211 19751 3722 1 6 . 1 1 107 107 ILE H H 107 7.582 7.582 8.440 -0.858 19751 3723 1 6 . 1 1 108 108 ALA N N 108 122.550 122.550 121.342 1.208 19751 3724 1 6 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.946 -0.145 19751 3725 1 6 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.581 0.497 19751 3726 1 6 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.806 0.131 19751 3727 1 6 . 1 1 108 108 ALA H H 108 8.551 8.551 7.692 0.859 19751 3728 1 6 . 1 1 109 109 THR N N 109 113.975 113.975 113.270 0.705 19751 3729 1 6 . 1 1 109 109 THR HA H 109 3.806 3.806 3.970 -0.164 19751 3730 1 6 . 1 1 109 109 THR C C 109 176.632 176.632 176.201 0.431 19751 3731 1 6 . 1 1 109 109 THR CA C 109 67.362 67.362 66.077 1.285 19751 3732 1 6 . 1 1 109 109 THR CB C 109 68.554 68.554 68.343 0.211 19751 3733 1 6 . 1 1 109 109 THR H H 109 8.197 8.197 7.588 0.609 19751 3734 1 6 . 1 1 110 110 LYS N N 110 123.603 123.603 118.950 4.653 19751 3735 1 6 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.232 -0.155 19751 3736 1 6 . 1 1 110 110 LYS C C 110 179.640 179.640 178.129 1.511 19751 3737 1 6 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.584 1.781 19751 3738 1 6 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.315 -0.243 19751 3739 1 6 . 1 1 110 110 LYS H H 110 7.656 7.656 7.793 -0.137 19751 3740 1 6 . 1 1 111 111 LEU N N 111 120.492 120.492 119.247 1.245 19751 3741 1 6 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.260 -0.403 19751 3742 1 6 . 1 1 111 111 LEU C C 111 179.289 179.289 179.000 0.289 19751 3743 1 6 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.230 0.885 19751 3744 1 6 . 1 1 111 111 LEU CB C 111 41.115 41.115 42.090 -0.975 19751 3745 1 6 . 1 1 111 111 LEU H H 111 8.441 8.441 7.611 0.830 19751 3746 1 6 . 1 1 112 112 LYS N N 112 120.305 120.305 119.300 1.005 19751 3747 1 6 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.238 0.203 19751 3748 1 6 . 1 1 112 112 LYS C C 112 181.574 181.574 178.793 2.781 19751 3749 1 6 . 1 1 112 112 LYS CA C 112 59.611 59.611 59.097 0.514 19751 3750 1 6 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.990 0.303 19751 3751 1 6 . 1 1 112 112 LYS H H 112 8.452 8.452 8.502 -0.050 19751 3752 1 6 . 1 1 113 113 SER N N 113 116.992 116.992 114.037 2.955 19751 3753 1 6 . 1 1 113 113 SER HA H 113 4.389 4.389 4.261 0.128 19751 3754 1 6 . 1 1 113 113 SER C C 113 175.200 175.200 175.979 -0.779 19751 3755 1 6 . 1 1 113 113 SER CA C 113 61.260 61.260 60.681 0.579 19751 3756 1 6 . 1 1 113 113 SER CB C 113 62.863 62.863 63.093 -0.230 19751 3757 1 6 . 1 1 113 113 SER H H 113 7.995 7.995 7.848 0.147 19751 3758 1 6 . 1 1 114 114 GLU N N 114 120.677 120.677 118.897 1.780 19751 3759 1 6 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.323 0.108 19751 3760 1 6 . 1 1 114 114 GLU C C 114 176.506 176.506 176.972 -0.466 19751 3761 1 6 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.990 -0.678 19751 3762 1 6 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.312 -0.915 19751 3763 1 6 . 1 1 114 114 GLU H H 114 7.577 7.577 8.009 -0.432 19751 3764 1 6 . 1 1 115 115 GLY N N 115 107.383 107.383 107.110 0.273 19751 3765 1 6 . 1 1 115 115 GLY C C 115 174.019 174.019 173.987 0.032 19751 3766 1 6 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.666 0.832 19751 3767 1 6 . 1 1 115 115 GLY H H 115 7.947 7.947 7.633 0.314 19751 3768 1 6 . 1 1 116 116 VAL N N 116 121.389 121.389 120.333 1.056 19751 3769 1 6 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.356 -0.224 19751 3770 1 6 . 1 1 116 116 VAL C C 116 175.092 175.092 174.366 0.726 19751 3771 1 6 . 1 1 116 116 VAL CA C 116 61.077 61.077 59.430 1.647 19751 3772 1 6 . 1 1 116 116 VAL CB C 116 33.043 33.043 34.215 -1.172 19751 3773 1 6 . 1 1 116 116 VAL H H 116 7.704 7.704 7.348 0.356 19751 3774 1 6 . 1 1 117 117 ASN N N 117 125.670 125.670 125.218 0.452 19751 3775 1 6 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.969 -0.175 19751 3776 1 6 . 1 1 117 117 ASN C C 117 173.847 173.847 173.918 -0.071 19751 3777 1 6 . 1 1 117 117 ASN CA C 117 53.204 53.204 52.291 0.913 19751 3778 1 6 . 1 1 117 117 ASN CB C 117 38.001 38.001 39.414 -1.413 19751 3779 1 6 . 1 1 117 117 ASN H H 117 9.161 9.161 8.619 0.542 19751 3780 1 6 . 1 1 118 118 VAL N N 118 121.648 121.648 119.059 2.589 19751 3781 1 6 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.057 0.216 19751 3782 1 6 . 1 1 118 118 VAL C C 118 173.553 173.553 174.262 -0.709 19751 3783 1 6 . 1 1 118 118 VAL CA C 118 58.505 58.505 58.632 -0.127 19751 3784 1 6 . 1 1 118 118 VAL CB C 118 35.089 35.089 34.913 0.176 19751 3785 1 6 . 1 1 118 118 VAL H H 118 7.811 7.811 8.165 -0.354 19751 3786 1 6 . 1 1 119 119 GLN N N 119 124.298 124.298 120.369 3.929 19751 3787 1 6 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.713 -0.060 19751 3788 1 6 . 1 1 119 119 GLN C C 119 174.263 174.263 174.080 0.183 19751 3789 1 6 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.159 0.084 19751 3790 1 6 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.425 0.101 19751 3791 1 6 . 1 1 119 119 GLN H H 119 8.746 8.746 8.296 0.450 19751 3792 1 6 . 1 1 120 120 ILE N N 120 122.997 122.997 126.830 -3.833 19751 3793 1 6 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.294 0.154 19751 3794 1 6 . 1 1 120 120 ILE C C 120 175.616 175.616 175.858 -0.242 19751 3795 1 6 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.891 1.066 19751 3796 1 6 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.163 3.767 19751 3797 1 6 . 1 1 120 120 ILE H H 120 8.670 8.670 8.655 0.015 19751 3798 1 6 . 1 1 121 121 GLU N N 121 128.460 128.460 128.331 0.129 19751 3799 1 6 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.620 -0.125 19751 3800 1 6 . 1 1 121 121 GLU C C 121 175.490 175.490 174.527 0.963 19751 3801 1 6 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.518 1.131 19751 3802 1 6 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.791 -1.601 19751 3803 1 6 . 1 1 121 121 GLU H H 121 8.641 8.641 8.145 0.496 19751 3804 1 6 . 1 1 122 122 LEU N N 122 126.756 126.756 120.168 6.588 19751 3805 1 6 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.633 -0.054 19751 3806 1 6 . 1 1 122 122 LEU C C 122 177.291 177.291 175.733 1.558 19751 3807 1 6 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.744 0.768 19751 3808 1 6 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.861 -2.439 19751 3809 1 6 . 1 1 122 122 LEU H H 122 8.642 8.642 8.410 0.232 19751 3810 1 6 . 1 1 123 123 SER N N 123 117.273 117.273 115.894 1.379 19751 3811 1 6 . 1 1 123 123 SER HA H 123 4.430 4.430 4.584 -0.154 19751 3812 1 6 . 1 1 123 123 SER C C 123 175.066 175.066 174.586 0.480 19751 3813 1 6 . 1 1 123 123 SER CA C 123 58.499 58.499 57.803 0.696 19751 3814 1 6 . 1 1 123 123 SER CB C 123 63.946 63.946 62.543 1.403 19751 3815 1 6 . 1 1 123 123 SER H H 123 8.496 8.496 8.868 -0.372 19751 3816 1 6 . 1 1 124 124 GLY N N 124 111.280 111.280 108.077 3.203 19751 3817 1 6 . 1 1 124 124 GLY C C 124 174.099 174.099 173.925 0.174 19751 3818 1 6 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.120 -0.741 19751 3819 1 6 . 1 1 124 124 GLY H H 124 8.566 8.566 8.153 0.413 19751 3820 1 6 . 1 1 125 125 ALA N N 125 123.586 123.586 124.823 -1.237 19751 3821 1 6 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.430 -0.123 19751 3822 1 6 . 1 1 125 125 ALA C C 125 177.915 177.915 176.310 1.605 19751 3823 1 6 . 1 1 125 125 ALA CA C 125 52.617 52.617 51.477 1.140 19751 3824 1 6 . 1 1 125 125 ALA CB C 125 19.308 19.308 17.188 2.120 19751 3825 1 6 . 1 1 125 125 ALA H H 125 8.158 8.158 8.278 -0.120 19751 3826 1 6 . 1 1 126 126 GLU N N 126 120.076 120.076 118.593 1.483 19751 3827 1 6 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.541 -0.190 19751 3828 1 6 . 1 1 126 126 GLU C C 126 176.544 176.544 175.510 1.034 19751 3829 1 6 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.529 1.353 19751 3830 1 6 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.614 -0.004 19751 3831 1 6 . 1 1 126 126 GLU H H 126 8.524 8.524 7.676 0.848 19751 3832 1 6 . 1 1 127 127 GLN N N 127 121.453 121.453 122.067 -0.614 19751 3833 1 6 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.542 -0.235 19751 3834 1 6 . 1 1 127 127 GLN C C 127 175.691 175.691 175.773 -0.082 19751 3835 1 6 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.869 -0.289 19751 3836 1 6 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.795 -0.092 19751 3837 1 6 . 1 1 127 127 GLN H H 127 8.356 8.356 8.406 -0.050 19751 3838 1 6 . 1 1 128 128 GLN N N 128 122.570 122.570 123.502 -0.932 19751 3839 1 6 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.704 -0.119 19751 3840 1 6 . 1 1 128 128 GLN CA C 128 53.744 53.744 54.269 -0.525 19751 3841 1 6 . 1 1 128 128 GLN CB C 128 28.864 28.864 28.783 0.081 19751 3842 1 6 . 1 1 128 128 GLN H H 128 8.348 8.348 8.573 -0.225 19751 3843 1 6 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.697 -0.296 19751 3844 1 6 . 1 1 129 129 PRO C C 129 175.988 175.988 176.446 -0.458 19751 3845 1 6 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.892 0.557 19751 3846 1 6 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.282 -0.325 19751 3847 1 7 . 1 1 2 2 GLU N N 2 122.196 122.196 120.354 1.842 19751 3848 1 7 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.627 -0.392 19751 3849 1 7 . 1 1 2 2 GLU C C 2 175.712 175.712 175.402 0.310 19751 3850 1 7 . 1 1 2 2 GLU CA C 2 56.632 56.632 55.976 0.656 19751 3851 1 7 . 1 1 2 2 GLU CB C 2 29.971 29.971 29.936 0.036 19751 3852 1 7 . 1 1 2 2 GLU H H 2 8.617 8.617 8.466 0.151 19751 3853 1 7 . 1 1 3 3 SER N N 3 116.623 116.623 116.261 0.362 19751 3854 1 7 . 1 1 3 3 SER HA H 3 4.597 4.597 4.722 -0.125 19751 3855 1 7 . 1 1 3 3 SER C C 3 174.294 174.294 174.705 -0.411 19751 3856 1 7 . 1 1 3 3 SER CA C 3 58.386 58.386 57.592 0.795 19751 3857 1 7 . 1 1 3 3 SER CB C 3 64.039 64.039 65.049 -1.010 19751 3858 1 7 . 1 1 3 3 SER H H 3 8.305 8.305 7.819 0.486 19751 3859 1 7 . 1 1 4 4 VAL N N 4 121.759 121.759 118.367 3.392 19751 3860 1 7 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.381 -0.072 19751 3861 1 7 . 1 1 4 4 VAL C C 4 176.177 176.177 175.953 0.224 19751 3862 1 7 . 1 1 4 4 VAL CA C 4 61.709 61.709 62.480 -0.771 19751 3863 1 7 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.178 1.177 19751 3864 1 7 . 1 1 4 4 VAL H H 4 8.303 8.303 8.539 -0.236 19751 3865 1 7 . 1 1 5 5 THR N N 5 118.335 118.335 114.703 3.632 19751 3866 1 7 . 1 1 5 5 THR HA H 5 4.592 4.592 4.015 0.577 19751 3867 1 7 . 1 1 5 5 THR C C 5 173.579 173.579 174.158 -0.579 19751 3868 1 7 . 1 1 5 5 THR CA C 5 62.022 62.022 63.102 -1.079 19751 3869 1 7 . 1 1 5 5 THR CB C 5 70.047 70.047 68.613 1.434 19751 3870 1 7 . 1 1 5 5 THR H H 5 8.319 8.319 8.035 0.284 19751 3871 1 7 . 1 1 6 6 MET N N 6 123.858 123.858 120.239 3.619 19751 3872 1 7 . 1 1 6 6 MET CA C 6 57.260 57.260 54.556 2.704 19751 3873 1 7 . 1 1 6 6 MET CB C 6 33.780 33.780 35.247 -1.467 19751 3874 1 7 . 1 1 6 6 MET H H 6 8.035 8.035 7.665 0.370 19751 3875 1 7 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.705 -0.208 19751 3876 1 7 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.265 0.885 19751 3877 1 7 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.257 -0.993 19751 3878 1 7 . 1 1 8 8 GLY N N 8 114.130 114.130 112.631 1.499 19751 3879 1 7 . 1 1 8 8 GLY CA C 8 45.613 45.613 45.314 0.299 19751 3880 1 7 . 1 1 8 8 GLY H H 8 8.386 8.386 8.431 -0.045 19751 3881 1 7 . 1 1 9 9 LYS N N 9 120.803 120.803 120.425 0.378 19751 3882 1 7 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.549 -0.205 19751 3883 1 7 . 1 1 9 9 LYS H H 9 8.021 8.021 8.403 -0.382 19751 3884 1 7 . 1 1 10 10 GLN N N 10 120.522 120.522 121.426 -0.904 19751 3885 1 7 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.515 -0.048 19751 3886 1 7 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.297 -0.016 19751 3887 1 7 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.040 0.370 19751 3888 1 7 . 1 1 10 10 GLN H H 10 8.246 8.246 8.475 -0.229 19751 3889 1 7 . 1 1 11 11 TYR N N 11 121.213 121.213 122.718 -1.505 19751 3890 1 7 . 1 1 11 11 TYR HA H 11 4.299 4.299 5.019 -0.720 19751 3891 1 7 . 1 1 11 11 TYR CA C 11 56.949 56.949 58.580 -1.631 19751 3892 1 7 . 1 1 11 11 TYR CB C 11 43.274 43.274 39.768 3.506 19751 3893 1 7 . 1 1 11 11 TYR H H 11 8.873 8.873 8.658 0.215 19751 3894 1 7 . 1 1 12 12 SER N N 12 117.406 117.406 118.600 -1.194 19751 3895 1 7 . 1 1 12 12 SER HA H 12 4.715 4.715 4.689 0.026 19751 3896 1 7 . 1 1 12 12 SER CA C 12 57.374 57.374 57.683 -0.309 19751 3897 1 7 . 1 1 12 12 SER CB C 12 63.946 63.946 64.888 -0.942 19751 3898 1 7 . 1 1 12 12 SER H H 12 9.047 9.047 7.851 1.196 19751 3899 1 7 . 1 1 13 13 THR N N 13 112.091 112.091 117.806 -5.715 19751 3900 1 7 . 1 1 13 13 THR HA H 13 4.929 4.929 4.695 0.234 19751 3901 1 7 . 1 1 13 13 THR CA C 13 60.716 60.716 62.287 -1.571 19751 3902 1 7 . 1 1 13 13 THR CB C 13 71.808 71.808 69.531 2.277 19751 3903 1 7 . 1 1 13 13 THR H H 13 8.235 8.235 8.272 -0.037 19751 3904 1 7 . 1 1 14 14 ILE N N 14 120.891 120.891 123.971 -3.080 19751 3905 1 7 . 1 1 14 14 ILE H H 14 9.108 9.108 8.172 0.936 19751 3906 1 7 . 1 1 15 15 GLU N N 15 127.598 127.598 128.517 -0.919 19751 3907 1 7 . 1 1 15 15 GLU H H 15 8.300 8.300 8.444 -0.144 19751 3908 1 7 . 1 1 16 16 VAL N N 16 126.224 126.224 122.802 3.422 19751 3909 1 7 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.122 0.162 19751 3910 1 7 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.398 0.437 19751 3911 1 7 . 1 1 16 16 VAL CB C 16 34.896 34.896 34.212 0.684 19751 3912 1 7 . 1 1 16 16 VAL H H 16 9.320 9.320 7.941 1.379 19751 3913 1 7 . 1 1 17 17 ASN N N 17 123.394 123.394 122.368 1.026 19751 3914 1 7 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.602 0.562 19751 3915 1 7 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.454 0.095 19751 3916 1 7 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.547 -0.332 19751 3917 1 7 . 1 1 17 17 ASN H H 17 9.310 9.310 8.529 0.781 19751 3918 1 7 . 1 1 18 18 GLY H H 18 9.024 9.024 8.226 0.798 19751 3919 1 7 . 1 1 19 19 GLN N N 19 119.994 119.994 118.975 1.019 19751 3920 1 7 . 1 1 19 19 GLN H H 19 7.990 7.990 8.072 -0.082 19751 3921 1 7 . 1 1 20 20 THR N N 20 117.472 117.472 112.700 4.772 19751 3922 1 7 . 1 1 20 20 THR HA H 20 4.384 4.384 4.630 -0.245 19751 3923 1 7 . 1 1 20 20 THR CA C 20 63.334 63.334 61.606 1.728 19751 3924 1 7 . 1 1 20 20 THR CB C 20 69.401 69.401 70.487 -1.086 19751 3925 1 7 . 1 1 20 20 THR H H 20 8.401 8.401 8.309 0.092 19751 3926 1 7 . 1 1 21 21 TYR N N 21 126.847 126.847 122.328 4.519 19751 3927 1 7 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.604 -0.442 19751 3928 1 7 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.767 -0.280 19751 3929 1 7 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.541 3.789 19751 3930 1 7 . 1 1 21 21 TYR H H 21 9.367 9.367 8.630 0.737 19751 3931 1 7 . 1 1 22 22 LEU N N 22 118.537 118.537 127.597 -9.060 19751 3932 1 7 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.780 -0.589 19751 3933 1 7 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.270 2.652 19751 3934 1 7 . 1 1 22 22 LEU CB C 22 43.212 43.212 44.589 -1.377 19751 3935 1 7 . 1 1 22 22 LEU H H 22 9.060 9.060 8.096 0.964 19751 3936 1 7 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.571 -0.180 19751 3937 1 7 . 1 1 24 24 PRO CA C 24 63.334 63.334 63.054 0.280 19751 3938 1 7 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.260 -0.120 19751 3939 1 7 . 1 1 25 25 ASP N N 25 121.554 121.554 121.752 -0.198 19751 3940 1 7 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.763 -0.171 19751 3941 1 7 . 1 1 25 25 ASP CA C 25 54.308 54.308 54.464 -0.156 19751 3942 1 7 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.713 -0.626 19751 3943 1 7 . 1 1 25 25 ASP H H 25 8.324 8.324 8.538 -0.214 19751 3944 1 7 . 1 1 26 26 ASN HA H 26 4.739 4.739 5.055 -0.316 19751 3945 1 7 . 1 1 26 26 ASN CA C 26 52.656 52.656 52.928 -0.272 19751 3946 1 7 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.885 -0.753 19751 3947 1 7 . 1 1 27 27 GLY N N 27 109.206 109.206 109.326 -0.120 19751 3948 1 7 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.720 0.694 19751 3949 1 7 . 1 1 27 27 GLY H H 27 8.494 8.494 8.692 -0.198 19751 3950 1 7 . 1 1 28 28 SER N N 28 116.238 116.238 116.296 -0.058 19751 3951 1 7 . 1 1 28 28 SER HA H 28 4.384 4.384 4.707 -0.323 19751 3952 1 7 . 1 1 28 28 SER CA C 28 60.226 60.226 57.829 2.397 19751 3953 1 7 . 1 1 28 28 SER CB C 28 63.818 63.818 64.394 -0.576 19751 3954 1 7 . 1 1 28 28 SER H H 28 8.372 8.372 8.502 -0.130 19751 3955 1 7 . 1 1 29 29 LYS N N 29 121.905 121.905 124.402 -2.497 19751 3956 1 7 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.469 -0.138 19751 3957 1 7 . 1 1 29 29 LYS CA C 29 56.353 56.353 56.137 0.216 19751 3958 1 7 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.673 -0.327 19751 3959 1 7 . 1 1 29 29 LYS H H 29 8.027 8.027 8.455 -0.428 19751 3960 1 7 . 1 1 30 30 LYS N N 30 122.663 122.663 124.717 -2.054 19751 3961 1 7 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.436 -0.142 19751 3962 1 7 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.973 0.241 19751 3963 1 7 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.560 -0.389 19751 3964 1 7 . 1 1 30 30 LYS H H 30 8.223 8.223 8.815 -0.592 19751 3965 1 7 . 1 1 31 31 ARG N N 31 123.469 123.469 123.869 -0.400 19751 3966 1 7 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.543 -0.188 19751 3967 1 7 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.473 0.822 19751 3968 1 7 . 1 1 31 31 ARG CB C 31 31.854 31.854 30.942 0.912 19751 3969 1 7 . 1 1 31 31 ARG H H 31 8.404 8.404 8.341 0.063 19751 3970 1 7 . 1 1 32 32 VAL N N 32 122.456 122.456 118.603 3.853 19751 3971 1 7 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.458 -0.215 19751 3972 1 7 . 1 1 32 32 VAL CA C 32 62.316 62.316 62.398 -0.082 19751 3973 1 7 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.035 -0.172 19751 3974 1 7 . 1 1 32 32 VAL H H 32 8.214 8.214 8.334 -0.120 19751 3975 1 7 . 1 1 33 33 ALA N N 33 127.685 127.685 129.864 -2.179 19751 3976 1 7 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.494 -0.192 19751 3977 1 7 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.907 0.710 19751 3978 1 7 . 1 1 33 33 ALA CB C 33 19.308 19.308 19.758 -0.450 19751 3979 1 7 . 1 1 33 33 ALA H H 33 8.374 8.374 8.373 0.001 19751 3980 1 7 . 1 1 34 34 ARG N N 34 119.922 119.922 122.786 -2.864 19751 3981 1 7 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.902 -0.579 19751 3982 1 7 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.838 0.982 19751 3983 1 7 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.527 -1.367 19751 3984 1 7 . 1 1 34 34 ARG H H 34 8.652 8.652 8.790 -0.138 19751 3985 1 7 . 1 1 35 35 SER N N 35 116.881 116.881 119.851 -2.970 19751 3986 1 7 . 1 1 35 35 SER HA H 35 4.543 4.543 4.710 -0.167 19751 3987 1 7 . 1 1 35 35 SER CA C 35 58.440 58.440 57.800 0.640 19751 3988 1 7 . 1 1 35 35 SER CB C 35 64.094 64.094 64.154 -0.060 19751 3989 1 7 . 1 1 35 35 SER H H 35 8.359 8.359 8.857 -0.498 19751 3990 1 7 . 1 1 36 36 LEU N N 36 124.595 124.595 127.257 -2.662 19751 3991 1 7 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.589 -0.216 19751 3992 1 7 . 1 1 36 36 LEU CA C 36 55.594 55.594 56.486 -0.892 19751 3993 1 7 . 1 1 36 36 LEU CB C 36 42.278 42.278 42.725 -0.447 19751 3994 1 7 . 1 1 36 36 LEU H H 36 8.546 8.546 8.328 0.218 19751 3995 1 7 . 1 1 37 37 ASP N N 37 119.422 119.422 124.087 -4.665 19751 3996 1 7 . 1 1 37 37 ASP HA H 37 4.592 4.592 4.751 -0.159 19751 3997 1 7 . 1 1 37 37 ASP CA C 37 54.308 54.308 54.759 -0.451 19751 3998 1 7 . 1 1 37 37 ASP CB C 37 41.182 41.182 41.688 -0.506 19751 3999 1 7 . 1 1 37 37 ASP H H 37 8.186 8.186 8.305 -0.119 19751 4000 1 7 . 1 1 38 38 SER N N 38 116.413 116.413 118.458 -2.045 19751 4001 1 7 . 1 1 38 38 SER HA H 38 4.450 4.450 4.829 -0.379 19751 4002 1 7 . 1 1 38 38 SER CA C 38 58.499 58.499 57.730 0.769 19751 4003 1 7 . 1 1 38 38 SER CB C 38 63.818 63.818 63.484 0.334 19751 4004 1 7 . 1 1 38 38 SER H H 38 8.177 8.177 8.376 -0.199 19751 4005 1 7 . 1 1 39 39 LYS N N 39 123.095 123.095 126.070 -2.975 19751 4006 1 7 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.658 -0.321 19751 4007 1 7 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.530 1.149 19751 4008 1 7 . 1 1 39 39 LYS CB C 39 32.232 32.232 34.267 -2.034 19751 4009 1 7 . 1 1 39 39 LYS H H 39 8.379 8.379 8.476 -0.097 19751 4010 1 7 . 1 1 40 40 VAL N N 40 122.475 122.475 123.305 -0.830 19751 4011 1 7 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.349 0.039 19751 4012 1 7 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.903 -1.742 19751 4013 1 7 . 1 1 40 40 VAL CB C 40 32.615 32.615 33.750 -1.135 19751 4014 1 7 . 1 1 40 40 VAL H H 40 8.069 8.069 8.619 -0.550 19751 4015 1 7 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.555 -0.134 19751 4016 1 7 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.155 -0.397 19751 4017 1 7 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.102 2.205 19751 4018 1 7 . 1 1 42 42 GLN N N 42 121.230 121.230 120.488 0.742 19751 4019 1 7 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.510 -0.231 19751 4020 1 7 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.482 0.546 19751 4021 1 7 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.225 -0.506 19751 4022 1 7 . 1 1 42 42 GLN H H 42 8.482 8.482 8.469 0.013 19751 4023 1 7 . 1 1 43 43 GLN N N 43 121.831 121.831 122.576 -0.745 19751 4024 1 7 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.745 -0.356 19751 4025 1 7 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.999 -0.075 19751 4026 1 7 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.516 -0.987 19751 4027 1 7 . 1 1 43 43 GLN H H 43 8.506 8.506 8.880 -0.374 19751 4028 1 7 . 1 1 44 44 THR N N 44 116.251 116.251 118.765 -2.514 19751 4029 1 7 . 1 1 44 44 THR HA H 44 4.302 4.302 4.752 -0.450 19751 4030 1 7 . 1 1 44 44 THR CA C 44 61.922 61.922 61.981 -0.059 19751 4031 1 7 . 1 1 44 44 THR CB C 44 69.811 69.811 70.062 -0.251 19751 4032 1 7 . 1 1 44 44 THR H H 44 8.231 8.231 8.634 -0.403 19751 4033 1 7 . 1 1 45 45 LEU N N 45 125.046 125.046 126.898 -1.852 19751 4034 1 7 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.874 -0.376 19751 4035 1 7 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.885 0.222 19751 4036 1 7 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.045 -0.233 19751 4037 1 7 . 1 1 45 45 LEU H H 45 8.257 8.257 8.889 -0.632 19751 4038 1 7 . 1 1 46 46 ARG N N 46 120.522 120.522 123.759 -3.237 19751 4039 1 7 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.115 -0.882 19751 4040 1 7 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.328 1.136 19751 4041 1 7 . 1 1 46 46 ARG CB C 46 29.971 29.971 32.010 -2.039 19751 4042 1 7 . 1 1 46 46 ARG H H 46 8.007 8.007 8.597 -0.590 19751 4043 1 7 . 1 1 47 47 ARG N N 47 121.010 121.010 121.113 -0.103 19751 4044 1 7 . 1 1 47 47 ARG H H 47 8.324 8.324 9.307 -0.983 19751 4045 1 7 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.411 0.929 19751 4046 1 7 . 1 1 49 49 ASP N N 49 120.513 120.513 123.438 -2.925 19751 4047 1 7 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.794 -0.175 19751 4048 1 7 . 1 1 49 49 ASP CA C 49 54.330 54.330 54.324 0.006 19751 4049 1 7 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.152 -0.989 19751 4050 1 7 . 1 1 49 49 ASP H H 49 8.225 8.225 8.200 0.025 19751 4051 1 7 . 1 1 50 50 VAL N N 50 119.718 119.718 122.596 -2.878 19751 4052 1 7 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.493 -0.421 19751 4053 1 7 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.810 0.591 19751 4054 1 7 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.948 -1.154 19751 4055 1 7 . 1 1 50 50 VAL H H 50 8.024 8.024 8.202 -0.178 19751 4056 1 7 . 1 1 51 51 LEU N N 51 125.249 125.249 127.754 -2.505 19751 4057 1 7 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.633 -0.287 19751 4058 1 7 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.481 -0.111 19751 4059 1 7 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.390 -1.011 19751 4060 1 7 . 1 1 51 51 LEU H H 51 8.305 8.305 8.229 0.076 19751 4061 1 7 . 1 1 52 52 MET HA H 52 4.458 4.458 4.687 -0.229 19751 4062 1 7 . 1 1 52 52 MET CA C 52 55.417 55.417 56.058 -0.641 19751 4063 1 7 . 1 1 52 52 MET CB C 52 32.264 32.264 33.439 -1.175 19751 4064 1 7 . 1 1 53 53 GLN N N 53 121.447 121.447 123.703 -2.256 19751 4065 1 7 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.718 -0.411 19751 4066 1 7 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.442 0.772 19751 4067 1 7 . 1 1 53 53 GLN CB C 53 29.697 29.697 30.922 -1.225 19751 4068 1 7 . 1 1 53 53 GLN H H 53 8.373 8.373 8.699 -0.326 19751 4069 1 7 . 1 1 54 54 GLY N N 54 110.484 110.484 109.670 0.814 19751 4070 1 7 . 1 1 54 54 GLY CA C 54 45.250 45.250 44.778 0.472 19751 4071 1 7 . 1 1 54 54 GLY H H 54 8.456 8.456 8.404 0.052 19751 4072 1 7 . 1 1 55 55 ALA N N 55 123.673 123.673 123.650 0.023 19751 4073 1 7 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.568 -0.261 19751 4074 1 7 . 1 1 55 55 ALA C C 55 177.397 177.397 176.275 1.122 19751 4075 1 7 . 1 1 55 55 ALA CA C 55 52.617 52.617 51.313 1.304 19751 4076 1 7 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.124 -0.816 19751 4077 1 7 . 1 1 55 55 ALA H H 55 8.113 8.113 8.065 0.048 19751 4078 1 7 . 1 1 56 56 ALA N N 56 123.295 123.295 123.315 -0.020 19751 4079 1 7 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.069 -0.766 19751 4080 1 7 . 1 1 56 56 ALA C C 56 177.446 177.446 176.113 1.333 19751 4081 1 7 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.631 0.802 19751 4082 1 7 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.255 -0.947 19751 4083 1 7 . 1 1 56 56 ALA H H 56 8.297 8.297 8.884 -0.587 19751 4084 1 7 . 1 1 57 57 SER N N 57 116.534 116.534 117.601 -1.067 19751 4085 1 7 . 1 1 57 57 SER HA H 57 4.737 4.737 4.592 0.145 19751 4086 1 7 . 1 1 57 57 SER CA C 57 56.332 56.332 57.727 -1.395 19751 4087 1 7 . 1 1 57 57 SER CB C 57 63.567 63.567 62.898 0.669 19751 4088 1 7 . 1 1 57 57 SER H H 57 8.258 8.258 8.665 -0.407 19751 4089 1 7 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.869 -0.467 19751 4090 1 7 . 1 1 58 58 PRO C C 58 176.874 176.874 175.900 0.974 19751 4091 1 7 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.404 -0.047 19751 4092 1 7 . 1 1 58 58 PRO CB C 58 32.035 32.035 33.042 -1.007 19751 4093 1 7 . 1 1 59 59 GLU N N 59 120.545 120.545 119.334 1.211 19751 4094 1 7 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.806 -0.570 19751 4095 1 7 . 1 1 59 59 GLU C C 59 176.383 176.383 174.452 1.931 19751 4096 1 7 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.648 0.927 19751 4097 1 7 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.384 -1.281 19751 4098 1 7 . 1 1 59 59 GLU H H 59 8.556 8.556 8.671 -0.115 19751 4099 1 7 . 1 1 60 60 LEU N N 60 122.946 122.946 120.287 2.659 19751 4100 1 7 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.751 -0.307 19751 4101 1 7 . 1 1 60 60 LEU C C 60 177.201 177.201 175.045 2.156 19751 4102 1 7 . 1 1 60 60 LEU CA C 60 55.120 55.120 55.782 -0.662 19751 4103 1 7 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.566 -1.278 19751 4104 1 7 . 1 1 60 60 LEU H H 60 8.205 8.205 8.502 -0.297 19751 4105 1 7 . 1 1 61 61 THR N N 61 115.168 115.168 116.993 -1.825 19751 4106 1 7 . 1 1 61 61 THR HA H 61 4.380 4.380 4.610 -0.230 19751 4107 1 7 . 1 1 61 61 THR C C 61 174.201 174.201 173.268 0.933 19751 4108 1 7 . 1 1 61 61 THR CA C 61 61.792 61.792 62.926 -1.134 19751 4109 1 7 . 1 1 61 61 THR CB C 61 69.770 69.770 69.392 0.378 19751 4110 1 7 . 1 1 61 61 THR H H 61 8.149 8.149 8.325 -0.176 19751 4111 1 7 . 1 1 62 62 VAL N N 62 121.650 121.650 125.967 -4.317 19751 4112 1 7 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.408 -0.089 19751 4113 1 7 . 1 1 62 62 VAL C C 62 175.921 175.921 174.051 1.870 19751 4114 1 7 . 1 1 62 62 VAL CA C 62 61.709 61.709 61.656 0.054 19751 4115 1 7 . 1 1 62 62 VAL CB C 62 33.355 33.355 35.353 -1.998 19751 4116 1 7 . 1 1 62 62 VAL H H 62 8.091 8.091 7.892 0.199 19751 4117 1 7 . 1 1 63 63 SER N N 63 120.076 120.076 119.887 0.189 19751 4118 1 7 . 1 1 63 63 SER HA H 63 4.542 4.542 4.665 -0.123 19751 4119 1 7 . 1 1 63 63 SER C C 63 174.254 174.254 173.665 0.589 19751 4120 1 7 . 1 1 63 63 SER CA C 63 58.375 58.375 58.045 0.330 19751 4121 1 7 . 1 1 63 63 SER CB C 63 64.196 64.196 65.186 -0.990 19751 4122 1 7 . 1 1 63 63 SER H H 63 8.524 8.524 8.436 0.088 19751 4123 1 7 . 1 1 64 64 GLY N N 64 109.912 109.912 110.646 -0.734 19751 4124 1 7 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.861 -0.477 19751 4125 1 7 . 1 1 64 64 GLY H H 64 8.255 8.255 8.493 -0.238 19751 4126 1 7 . 1 1 65 65 THR N N 65 114.200 114.200 115.899 -1.699 19751 4127 1 7 . 1 1 65 65 THR HA H 65 4.929 4.929 5.151 -0.222 19751 4128 1 7 . 1 1 65 65 THR CA C 65 60.826 60.826 61.377 -0.551 19751 4129 1 7 . 1 1 65 65 THR CB C 65 71.805 71.805 72.341 -0.536 19751 4130 1 7 . 1 1 65 65 THR H H 65 8.468 8.468 7.925 0.543 19751 4131 1 7 . 1 1 66 66 LEU N N 66 122.673 122.673 122.356 0.317 19751 4132 1 7 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.756 0.165 19751 4133 1 7 . 1 1 66 66 LEU C C 66 174.364 174.364 174.344 0.020 19751 4134 1 7 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.644 -1.234 19751 4135 1 7 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.016 -1.565 19751 4136 1 7 . 1 1 66 66 LEU H H 66 9.054 9.054 8.819 0.235 19751 4137 1 7 . 1 1 67 67 LEU N N 67 124.219 124.219 125.991 -1.772 19751 4138 1 7 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.825 0.383 19751 4139 1 7 . 1 1 67 67 LEU C C 67 177.107 177.107 175.873 1.234 19751 4140 1 7 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.083 -0.310 19751 4141 1 7 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.446 0.760 19751 4142 1 7 . 1 1 67 67 LEU H H 67 8.927 8.927 9.012 -0.085 19751 4143 1 7 . 1 1 68 68 VAL N N 68 121.113 121.113 124.569 -3.456 19751 4144 1 7 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.265 0.591 19751 4145 1 7 . 1 1 68 68 VAL C C 68 174.079 174.079 174.434 -0.355 19751 4146 1 7 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.907 -0.049 19751 4147 1 7 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.481 0.534 19751 4148 1 7 . 1 1 68 68 VAL H H 68 9.345 9.345 8.746 0.599 19751 4149 1 7 . 1 1 69 69 GLU N N 69 127.682 127.682 130.132 -2.450 19751 4150 1 7 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.615 0.284 19751 4151 1 7 . 1 1 69 69 GLU C C 69 173.485 173.485 174.767 -1.282 19751 4152 1 7 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.009 -0.662 19751 4153 1 7 . 1 1 69 69 GLU CB C 69 28.971 28.971 27.919 1.052 19751 4154 1 7 . 1 1 69 69 GLU H H 69 8.110 8.110 8.643 -0.533 19751 4155 1 7 . 1 1 70 70 ALA N N 70 130.042 130.042 127.821 2.221 19751 4156 1 7 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.570 -0.006 19751 4157 1 7 . 1 1 70 70 ALA C C 70 174.853 174.853 175.590 -0.737 19751 4158 1 7 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.420 0.284 19751 4159 1 7 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.162 0.269 19751 4160 1 7 . 1 1 70 70 ALA H H 70 7.991 7.991 7.657 0.334 19751 4161 1 7 . 1 1 71 71 ASP N N 71 117.021 117.021 119.838 -2.817 19751 4162 1 7 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.684 -0.104 19751 4163 1 7 . 1 1 71 71 ASP C C 71 175.160 175.160 176.729 -1.569 19751 4164 1 7 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.585 -0.542 19751 4165 1 7 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.713 -1.791 19751 4166 1 7 . 1 1 71 71 ASP H H 71 8.025 8.025 8.376 -0.351 19751 4167 1 7 . 1 1 72 72 ASP N N 72 119.867 119.867 120.520 -0.653 19751 4168 1 7 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.638 0.485 19751 4169 1 7 . 1 1 72 72 ASP C C 72 177.598 177.598 177.360 0.238 19751 4170 1 7 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.184 1.273 19751 4171 1 7 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.884 -0.895 19751 4172 1 7 . 1 1 72 72 ASP H H 72 8.644 8.644 8.557 0.087 19751 4173 1 7 . 1 1 73 73 ALA N N 73 120.735 120.735 120.069 0.666 19751 4174 1 7 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.067 -0.115 19751 4175 1 7 . 1 1 73 73 ALA C C 73 181.711 181.711 180.094 1.617 19751 4176 1 7 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.878 0.479 19751 4177 1 7 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.257 -0.436 19751 4178 1 7 . 1 1 73 73 ALA H H 73 8.212 8.212 8.350 -0.138 19751 4179 1 7 . 1 1 74 74 SER N N 74 116.971 116.971 114.214 2.757 19751 4180 1 7 . 1 1 74 74 SER HA H 74 4.207 4.207 4.255 -0.048 19751 4181 1 7 . 1 1 74 74 SER C C 74 176.918 176.918 176.043 0.875 19751 4182 1 7 . 1 1 74 74 SER CA C 74 61.632 61.632 60.653 0.979 19751 4183 1 7 . 1 1 74 74 SER CB C 74 62.233 62.233 63.287 -1.054 19751 4184 1 7 . 1 1 74 74 SER H H 74 8.376 8.376 7.446 0.930 19751 4185 1 7 . 1 1 75 75 ALA N N 75 124.844 124.844 125.540 -0.696 19751 4186 1 7 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.747 0.075 19751 4187 1 7 . 1 1 75 75 ALA C C 75 179.160 179.160 178.971 0.189 19751 4188 1 7 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.172 0.129 19751 4189 1 7 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.586 0.926 19751 4190 1 7 . 1 1 75 75 ALA H H 75 9.121 9.121 7.915 1.206 19751 4191 1 7 . 1 1 76 76 LYS N N 76 117.821 117.821 117.780 0.041 19751 4192 1 7 . 1 1 76 76 LYS HA H 76 3.805 3.805 4.008 -0.203 19751 4193 1 7 . 1 1 76 76 LYS C C 76 179.175 179.175 178.549 0.626 19751 4194 1 7 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.305 0.833 19751 4195 1 7 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.845 0.517 19751 4196 1 7 . 1 1 76 76 LYS H H 76 8.306 8.306 7.899 0.407 19751 4197 1 7 . 1 1 77 77 ALA N N 77 122.703 122.703 121.220 1.483 19751 4198 1 7 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.144 0.046 19751 4199 1 7 . 1 1 77 77 ALA C C 77 180.868 180.868 179.645 1.223 19751 4200 1 7 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.637 0.515 19751 4201 1 7 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.260 -0.428 19751 4202 1 7 . 1 1 77 77 ALA H H 77 7.584 7.584 7.655 -0.071 19751 4203 1 7 . 1 1 78 78 LEU N N 78 120.574 120.574 118.612 1.962 19751 4204 1 7 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.148 -0.112 19751 4205 1 7 . 1 1 78 78 LEU C C 78 178.870 178.870 179.099 -0.229 19751 4206 1 7 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.911 0.977 19751 4207 1 7 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.980 0.499 19751 4208 1 7 . 1 1 78 78 LEU H H 78 8.338 8.338 7.681 0.657 19751 4209 1 7 . 1 1 79 79 ALA N N 79 121.156 121.156 121.860 -0.704 19751 4210 1 7 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.102 -0.207 19751 4211 1 7 . 1 1 79 79 ALA C C 79 179.393 179.393 178.998 0.395 19751 4212 1 7 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.265 0.495 19751 4213 1 7 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.538 -1.282 19751 4214 1 7 . 1 1 79 79 ALA H H 79 8.491 8.491 8.457 0.034 19751 4215 1 7 . 1 1 80 80 THR N N 80 114.097 114.097 112.004 2.093 19751 4216 1 7 . 1 1 80 80 THR HA H 80 4.048 4.048 4.204 -0.156 19751 4217 1 7 . 1 1 80 80 THR C C 80 177.034 177.034 176.381 0.653 19751 4218 1 7 . 1 1 80 80 THR CA C 80 66.139 66.139 65.375 0.764 19751 4219 1 7 . 1 1 80 80 THR CB C 80 69.243 69.243 69.144 0.099 19751 4220 1 7 . 1 1 80 80 THR H H 80 8.111 8.111 7.779 0.332 19751 4221 1 7 . 1 1 81 81 ARG N N 81 121.321 121.321 120.202 1.119 19751 4222 1 7 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.170 -0.227 19751 4223 1 7 . 1 1 81 81 ARG C C 81 177.546 177.546 177.943 -0.397 19751 4224 1 7 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.401 0.639 19751 4225 1 7 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.478 0.245 19751 4226 1 7 . 1 1 81 81 ARG H H 81 7.893 7.893 7.530 0.363 19751 4227 1 7 . 1 1 82 82 HIS N N 82 113.320 113.320 114.942 -1.622 19751 4228 1 7 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.462 0.247 19751 4229 1 7 . 1 1 82 82 HIS C C 82 174.918 174.918 175.542 -0.624 19751 4230 1 7 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.157 -0.995 19751 4231 1 7 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.278 1.230 19751 4232 1 7 . 1 1 82 82 HIS H H 82 7.684 7.684 7.943 -0.259 19751 4233 1 7 . 1 1 83 83 GLY N N 83 109.763 109.763 105.216 4.547 19751 4234 1 7 . 1 1 83 83 GLY C C 83 174.866 174.866 174.226 0.640 19751 4235 1 7 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.951 2.326 19751 4236 1 7 . 1 1 83 83 GLY H H 83 7.707 7.707 7.651 0.056 19751 4237 1 7 . 1 1 84 84 LEU N N 84 119.225 119.225 119.346 -0.121 19751 4238 1 7 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.541 0.293 19751 4239 1 7 . 1 1 84 84 LEU C C 84 174.880 174.880 176.339 -1.459 19751 4240 1 7 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.093 -1.224 19751 4241 1 7 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.686 2.397 19751 4242 1 7 . 1 1 84 84 LEU H H 84 8.672 8.672 7.334 1.338 19751 4243 1 7 . 1 1 85 85 ASN N N 85 117.042 117.042 117.201 -0.159 19751 4244 1 7 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.902 0.266 19751 4245 1 7 . 1 1 85 85 ASN C C 85 175.212 175.212 174.069 1.143 19751 4246 1 7 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.121 -0.263 19751 4247 1 7 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.795 0.087 19751 4248 1 7 . 1 1 85 85 ASN H H 85 8.955 8.955 8.395 0.560 19751 4249 1 7 . 1 1 86 86 PHE N N 86 126.957 126.957 126.974 -0.017 19751 4250 1 7 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.526 -0.085 19751 4251 1 7 . 1 1 86 86 PHE C C 86 173.744 173.744 174.917 -1.173 19751 4252 1 7 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.603 1.003 19751 4253 1 7 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.973 0.091 19751 4254 1 7 . 1 1 86 86 PHE H H 86 9.221 9.221 8.966 0.255 19751 4255 1 7 . 1 1 87 87 LYS N N 87 129.305 129.305 127.191 2.114 19751 4256 1 7 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.171 0.180 19751 4257 1 7 . 1 1 87 87 LYS C C 87 175.203 175.203 175.738 -0.535 19751 4258 1 7 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.844 -0.147 19751 4259 1 7 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.428 0.146 19751 4260 1 7 . 1 1 87 87 LYS H H 87 8.397 8.397 8.831 -0.434 19751 4261 1 7 . 1 1 88 88 GLN N N 88 110.785 110.785 115.185 -4.400 19751 4262 1 7 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.388 0.003 19751 4263 1 7 . 1 1 88 88 GLN C C 88 185.308 185.308 173.793 11.515 19751 4264 1 7 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.529 0.224 19751 4265 1 7 . 1 1 88 88 GLN H H 88 6.855 6.855 7.898 -1.043 19751 4266 1 7 . 1 1 89 89 SER N N 89 113.927 113.927 114.607 -0.680 19751 4267 1 7 . 1 1 89 89 SER HA H 89 5.298 5.298 5.177 0.121 19751 4268 1 7 . 1 1 89 89 SER C C 89 173.757 173.757 174.300 -0.543 19751 4269 1 7 . 1 1 89 89 SER CA C 89 56.776 56.776 57.039 -0.263 19751 4270 1 7 . 1 1 89 89 SER CB C 89 67.417 67.417 65.880 1.537 19751 4271 1 7 . 1 1 89 89 SER H H 89 8.718 8.718 8.484 0.234 19751 4272 1 7 . 1 1 90 90 SER N N 90 114.246 114.246 119.323 -5.077 19751 4273 1 7 . 1 1 90 90 SER HA H 90 4.597 4.597 4.593 0.004 19751 4274 1 7 . 1 1 90 90 SER CA C 90 58.356 58.356 57.858 0.497 19751 4275 1 7 . 1 1 90 90 SER CB C 90 63.952 63.952 63.065 0.887 19751 4276 1 7 . 1 1 90 90 SER H H 90 8.479 8.479 8.828 -0.349 19751 4277 1 7 . 1 1 91 91 GLY N N 91 116.101 116.101 110.666 5.435 19751 4278 1 7 . 1 1 91 91 GLY C C 91 174.853 174.853 174.651 0.202 19751 4279 1 7 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.026 2.129 19751 4280 1 7 . 1 1 91 91 GLY H H 91 8.490 8.490 8.248 0.242 19751 4281 1 7 . 1 1 92 92 GLY N N 92 107.199 107.199 108.170 -0.971 19751 4282 1 7 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.175 -0.509 19751 4283 1 7 . 1 1 92 92 GLY H H 92 8.914 8.914 8.180 0.734 19751 4284 1 7 . 1 1 93 93 ILE N N 93 118.958 118.958 115.504 3.454 19751 4285 1 7 . 1 1 93 93 ILE HA H 93 4.738 4.738 5.002 -0.264 19751 4286 1 7 . 1 1 93 93 ILE C C 93 175.050 175.050 173.532 1.518 19751 4287 1 7 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.915 -1.380 19751 4288 1 7 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.082 -2.973 19751 4289 1 7 . 1 1 93 93 ILE H H 93 7.540 7.540 7.535 0.005 19751 4290 1 7 . 1 1 94 94 ALA N N 94 131.032 131.032 128.792 2.240 19751 4291 1 7 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.213 -0.485 19751 4292 1 7 . 1 1 94 94 ALA C C 94 174.512 174.512 177.452 -2.940 19751 4293 1 7 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.288 0.150 19751 4294 1 7 . 1 1 94 94 ALA CB C 94 21.812 21.812 20.044 1.768 19751 4295 1 7 . 1 1 94 94 ALA H H 94 9.561 9.561 9.139 0.422 19751 4296 1 7 . 1 1 95 95 LEU N N 95 123.066 123.066 124.443 -1.377 19751 4297 1 7 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.843 0.120 19751 4298 1 7 . 1 1 95 95 LEU C C 95 174.922 174.922 176.107 -1.185 19751 4299 1 7 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.417 0.098 19751 4300 1 7 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.438 2.767 19751 4301 1 7 . 1 1 95 95 LEU H H 95 8.641 8.641 8.156 0.485 19751 4302 1 7 . 1 1 96 96 LEU N N 96 124.843 124.843 124.842 0.001 19751 4303 1 7 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.930 0.241 19751 4304 1 7 . 1 1 96 96 LEU C C 96 175.059 175.059 177.080 -2.021 19751 4305 1 7 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.822 -1.183 19751 4306 1 7 . 1 1 96 96 LEU CB C 96 44.269 44.269 42.803 1.466 19751 4307 1 7 . 1 1 96 96 LEU H H 96 9.235 9.235 8.862 0.373 19751 4308 1 7 . 1 1 97 97 GLU N N 97 121.306 121.306 120.855 0.451 19751 4309 1 7 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.643 0.216 19751 4310 1 7 . 1 1 97 97 GLU C C 97 175.343 175.343 175.520 -0.177 19751 4311 1 7 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.972 0.119 19751 4312 1 7 . 1 1 97 97 GLU CB C 97 33.415 33.415 31.009 2.406 19751 4313 1 7 . 1 1 97 97 GLU H H 97 9.113 9.113 8.513 0.600 19751 4314 1 7 . 1 1 98 98 ALA N N 98 126.658 126.658 127.771 -1.113 19751 4315 1 7 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.343 0.431 19751 4316 1 7 . 1 1 98 98 ALA C C 98 176.880 176.880 177.152 -0.272 19751 4317 1 7 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.606 -1.011 19751 4318 1 7 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.610 1.773 19751 4319 1 7 . 1 1 98 98 ALA H H 98 8.731 8.731 8.535 0.196 19751 4320 1 7 . 1 1 99 99 LYS N N 99 121.674 121.674 122.847 -1.173 19751 4321 1 7 . 1 1 99 99 LYS H H 99 8.636 8.636 8.248 0.388 19751 4322 1 7 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.262 0.200 19751 4323 1 7 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.848 -0.360 19751 4324 1 7 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.895 1.290 19751 4325 1 7 . 1 1 101 101 GLY N N 101 110.695 110.695 114.254 -3.559 19751 4326 1 7 . 1 1 101 101 GLY C C 101 174.676 174.676 174.379 0.297 19751 4327 1 7 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.872 0.311 19751 4328 1 7 . 1 1 101 101 GLY H H 101 8.709 8.709 8.393 0.316 19751 4329 1 7 . 1 1 102 102 THR N N 102 116.771 116.771 118.757 -1.986 19751 4330 1 7 . 1 1 102 102 THR HA H 102 4.134 4.134 4.400 -0.266 19751 4331 1 7 . 1 1 102 102 THR CA C 102 62.998 62.998 63.023 -0.025 19751 4332 1 7 . 1 1 102 102 THR CB C 102 69.736 69.736 69.755 -0.019 19751 4333 1 7 . 1 1 102 102 THR H H 102 7.652 7.652 7.614 0.038 19751 4334 1 7 . 1 1 103 103 ASP N N 103 125.950 125.950 127.762 -1.812 19751 4335 1 7 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.802 -0.098 19751 4336 1 7 . 1 1 103 103 ASP C C 103 175.907 175.907 177.178 -1.271 19751 4337 1 7 . 1 1 103 103 ASP CA C 103 52.747 52.747 54.133 -1.386 19751 4338 1 7 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.251 0.736 19751 4339 1 7 . 1 1 103 103 ASP H H 103 8.849 8.849 8.775 0.074 19751 4340 1 7 . 1 1 104 104 LEU N N 104 127.195 127.195 120.187 7.008 19751 4341 1 7 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.862 0.009 19751 4342 1 7 . 1 1 104 104 LEU C C 104 178.528 178.528 177.934 0.594 19751 4343 1 7 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.247 -0.819 19751 4344 1 7 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.446 0.736 19751 4345 1 7 . 1 1 104 104 LEU H H 104 8.464 8.464 7.629 0.835 19751 4346 1 7 . 1 1 105 105 ASN N N 105 116.748 116.748 117.245 -0.497 19751 4347 1 7 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.325 0.012 19751 4348 1 7 . 1 1 105 105 ASN C C 105 177.999 177.999 176.942 1.057 19751 4349 1 7 . 1 1 105 105 ASN CA C 105 56.542 56.542 55.980 0.562 19751 4350 1 7 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.605 0.620 19751 4351 1 7 . 1 1 105 105 ASN H H 105 8.225 8.225 8.383 -0.158 19751 4352 1 7 . 1 1 106 106 ALA N N 106 123.704 123.704 121.571 2.133 19751 4353 1 7 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.150 -0.064 19751 4354 1 7 . 1 1 106 106 ALA C C 106 181.021 181.021 180.153 0.868 19751 4355 1 7 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.310 0.574 19751 4356 1 7 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.528 -0.545 19751 4357 1 7 . 1 1 106 106 ALA H H 106 7.810 7.810 7.488 0.322 19751 4358 1 7 . 1 1 107 107 ILE N N 107 118.676 118.676 120.016 -1.340 19751 4359 1 7 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.552 0.102 19751 4360 1 7 . 1 1 107 107 ILE C C 107 177.324 177.324 178.077 -0.753 19751 4361 1 7 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.843 -1.008 19751 4362 1 7 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.378 0.229 19751 4363 1 7 . 1 1 107 107 ILE H H 107 7.582 7.582 7.543 0.039 19751 4364 1 7 . 1 1 108 108 ALA N N 108 122.550 122.550 121.194 1.356 19751 4365 1 7 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.959 -0.158 19751 4366 1 7 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.270 0.808 19751 4367 1 7 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.860 0.077 19751 4368 1 7 . 1 1 108 108 ALA H H 108 8.551 8.551 7.817 0.734 19751 4369 1 7 . 1 1 109 109 THR N N 109 113.975 113.975 112.817 1.158 19751 4370 1 7 . 1 1 109 109 THR HA H 109 3.806 3.806 4.111 -0.305 19751 4371 1 7 . 1 1 109 109 THR C C 109 176.632 176.632 176.502 0.130 19751 4372 1 7 . 1 1 109 109 THR CA C 109 67.362 67.362 65.992 1.370 19751 4373 1 7 . 1 1 109 109 THR CB C 109 68.554 68.554 68.679 -0.125 19751 4374 1 7 . 1 1 109 109 THR H H 109 8.197 8.197 7.556 0.641 19751 4375 1 7 . 1 1 110 110 LYS N N 110 123.603 123.603 121.117 2.486 19751 4376 1 7 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.269 -0.192 19751 4377 1 7 . 1 1 110 110 LYS C C 110 179.640 179.640 178.197 1.443 19751 4378 1 7 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.699 1.666 19751 4379 1 7 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.181 -0.110 19751 4380 1 7 . 1 1 110 110 LYS H H 110 7.656 7.656 8.006 -0.350 19751 4381 1 7 . 1 1 111 111 LEU N N 111 120.492 120.492 119.061 1.431 19751 4382 1 7 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.262 -0.405 19751 4383 1 7 . 1 1 111 111 LEU C C 111 179.289 179.289 179.028 0.261 19751 4384 1 7 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.596 0.519 19751 4385 1 7 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.887 -0.772 19751 4386 1 7 . 1 1 111 111 LEU H H 111 8.441 8.441 7.509 0.932 19751 4387 1 7 . 1 1 112 112 LYS N N 112 120.305 120.305 118.157 2.148 19751 4388 1 7 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.231 0.210 19751 4389 1 7 . 1 1 112 112 LYS C C 112 181.574 181.574 178.733 2.841 19751 4390 1 7 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.843 0.768 19751 4391 1 7 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.992 0.301 19751 4392 1 7 . 1 1 112 112 LYS H H 112 8.452 8.452 8.114 0.338 19751 4393 1 7 . 1 1 113 113 SER N N 113 116.992 116.992 114.138 2.854 19751 4394 1 7 . 1 1 113 113 SER HA H 113 4.389 4.389 4.258 0.131 19751 4395 1 7 . 1 1 113 113 SER C C 113 175.200 175.200 175.858 -0.658 19751 4396 1 7 . 1 1 113 113 SER CA C 113 61.260 61.260 60.765 0.495 19751 4397 1 7 . 1 1 113 113 SER CB C 113 62.863 62.863 63.130 -0.267 19751 4398 1 7 . 1 1 113 113 SER H H 113 7.995 7.995 7.797 0.198 19751 4399 1 7 . 1 1 114 114 GLU N N 114 120.677 120.677 118.573 2.104 19751 4400 1 7 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.375 0.056 19751 4401 1 7 . 1 1 114 114 GLU C C 114 176.506 176.506 177.050 -0.544 19751 4402 1 7 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.434 -0.121 19751 4403 1 7 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.749 -1.352 19751 4404 1 7 . 1 1 114 114 GLU H H 114 7.577 7.577 7.777 -0.200 19751 4405 1 7 . 1 1 115 115 GLY N N 115 107.383 107.383 107.915 -0.532 19751 4406 1 7 . 1 1 115 115 GLY C C 115 174.019 174.019 173.551 0.468 19751 4407 1 7 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.707 0.791 19751 4408 1 7 . 1 1 115 115 GLY H H 115 7.947 7.947 7.673 0.274 19751 4409 1 7 . 1 1 116 116 VAL N N 116 121.389 121.389 120.554 0.835 19751 4410 1 7 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.141 -0.009 19751 4411 1 7 . 1 1 116 116 VAL C C 116 175.092 175.092 174.889 0.203 19751 4412 1 7 . 1 1 116 116 VAL CA C 116 61.077 61.077 61.036 0.041 19751 4413 1 7 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.588 0.455 19751 4414 1 7 . 1 1 116 116 VAL H H 116 7.704 7.704 7.541 0.163 19751 4415 1 7 . 1 1 117 117 ASN N N 117 125.670 125.670 127.688 -2.018 19751 4416 1 7 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.754 0.040 19751 4417 1 7 . 1 1 117 117 ASN C C 117 173.847 173.847 174.150 -0.303 19751 4418 1 7 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.404 -0.201 19751 4419 1 7 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.544 -0.543 19751 4420 1 7 . 1 1 117 117 ASN H H 117 9.161 9.161 8.716 0.445 19751 4421 1 7 . 1 1 118 118 VAL N N 118 121.648 121.648 118.437 3.211 19751 4422 1 7 . 1 1 118 118 VAL HA H 118 5.273 5.273 4.971 0.302 19751 4423 1 7 . 1 1 118 118 VAL C C 118 173.553 173.553 174.544 -0.991 19751 4424 1 7 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.532 -1.027 19751 4425 1 7 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.203 -0.113 19751 4426 1 7 . 1 1 118 118 VAL H H 118 7.811 7.811 7.806 0.005 19751 4427 1 7 . 1 1 119 119 GLN N N 119 124.298 124.298 121.010 3.288 19751 4428 1 7 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.673 -0.020 19751 4429 1 7 . 1 1 119 119 GLN C C 119 174.263 174.263 174.726 -0.463 19751 4430 1 7 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.087 0.156 19751 4431 1 7 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.341 0.185 19751 4432 1 7 . 1 1 119 119 GLN H H 119 8.746 8.746 8.382 0.364 19751 4433 1 7 . 1 1 120 120 ILE N N 120 122.997 122.997 127.209 -4.212 19751 4434 1 7 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.138 0.310 19751 4435 1 7 . 1 1 120 120 ILE C C 120 175.616 175.616 175.934 -0.318 19751 4436 1 7 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.506 0.451 19751 4437 1 7 . 1 1 120 120 ILE CB C 120 39.930 39.930 35.860 4.070 19751 4438 1 7 . 1 1 120 120 ILE H H 120 8.670 8.670 8.636 0.034 19751 4439 1 7 . 1 1 121 121 GLU N N 121 128.460 128.460 128.375 0.085 19751 4440 1 7 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.619 -0.124 19751 4441 1 7 . 1 1 121 121 GLU C C 121 175.490 175.490 174.332 1.158 19751 4442 1 7 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.604 1.045 19751 4443 1 7 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.469 -1.279 19751 4444 1 7 . 1 1 121 121 GLU H H 121 8.641 8.641 8.056 0.585 19751 4445 1 7 . 1 1 122 122 LEU N N 122 126.756 126.756 119.933 6.823 19751 4446 1 7 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.711 -0.132 19751 4447 1 7 . 1 1 122 122 LEU C C 122 177.291 177.291 176.985 0.306 19751 4448 1 7 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.807 0.705 19751 4449 1 7 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.806 -2.384 19751 4450 1 7 . 1 1 122 122 LEU H H 122 8.642 8.642 8.607 0.035 19751 4451 1 7 . 1 1 123 123 SER N N 123 117.273 117.273 116.028 1.245 19751 4452 1 7 . 1 1 123 123 SER HA H 123 4.430 4.430 4.545 -0.115 19751 4453 1 7 . 1 1 123 123 SER C C 123 175.066 175.066 174.514 0.552 19751 4454 1 7 . 1 1 123 123 SER CA C 123 58.499 58.499 58.011 0.488 19751 4455 1 7 . 1 1 123 123 SER CB C 123 63.946 63.946 62.129 1.817 19751 4456 1 7 . 1 1 123 123 SER H H 123 8.496 8.496 8.942 -0.446 19751 4457 1 7 . 1 1 124 124 GLY N N 124 111.280 111.280 108.241 3.039 19751 4458 1 7 . 1 1 124 124 GLY C C 124 174.099 174.099 173.309 0.790 19751 4459 1 7 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.208 -0.829 19751 4460 1 7 . 1 1 124 124 GLY H H 124 8.566 8.566 8.367 0.199 19751 4461 1 7 . 1 1 125 125 ALA N N 125 123.586 123.586 124.059 -0.473 19751 4462 1 7 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.454 -0.147 19751 4463 1 7 . 1 1 125 125 ALA C C 125 177.915 177.915 176.741 1.174 19751 4464 1 7 . 1 1 125 125 ALA CA C 125 52.617 52.617 51.835 0.782 19751 4465 1 7 . 1 1 125 125 ALA CB C 125 19.308 19.308 16.958 2.350 19751 4466 1 7 . 1 1 125 125 ALA H H 125 8.158 8.158 8.156 0.002 19751 4467 1 7 . 1 1 126 126 GLU N N 126 120.076 120.076 121.355 -1.279 19751 4468 1 7 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.579 -0.228 19751 4469 1 7 . 1 1 126 126 GLU C C 126 176.544 176.544 174.886 1.658 19751 4470 1 7 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.732 1.151 19751 4471 1 7 . 1 1 126 126 GLU CB C 126 30.610 30.610 31.284 -0.674 19751 4472 1 7 . 1 1 126 126 GLU H H 126 8.524 8.524 7.974 0.550 19751 4473 1 7 . 1 1 127 127 GLN N N 127 121.453 121.453 118.087 3.366 19751 4474 1 7 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.395 -0.088 19751 4475 1 7 . 1 1 127 127 GLN C C 127 175.691 175.691 174.689 1.002 19751 4476 1 7 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.377 0.203 19751 4477 1 7 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.478 0.225 19751 4478 1 7 . 1 1 127 127 GLN H H 127 8.356 8.356 8.204 0.152 19751 4479 1 7 . 1 1 128 128 GLN N N 128 122.570 122.570 119.738 2.832 19751 4480 1 7 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.246 0.339 19751 4481 1 7 . 1 1 128 128 GLN CA C 128 53.744 53.744 55.653 -1.909 19751 4482 1 7 . 1 1 128 128 GLN CB C 128 28.864 28.864 27.750 1.114 19751 4483 1 7 . 1 1 128 128 GLN H H 128 8.348 8.348 8.383 -0.035 19751 4484 1 7 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.430 -0.029 19751 4485 1 7 . 1 1 129 129 PRO C C 129 175.988 175.988 177.249 -1.261 19751 4486 1 7 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.995 0.454 19751 4487 1 7 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.520 -0.563 19751 4488 1 8 . 1 1 2 2 GLU N N 2 122.196 122.196 122.495 -0.299 19751 4489 1 8 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.627 -0.392 19751 4490 1 8 . 1 1 2 2 GLU C C 2 175.712 175.712 175.665 0.047 19751 4491 1 8 . 1 1 2 2 GLU CA C 2 56.632 56.632 57.460 -0.828 19751 4492 1 8 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.484 -0.513 19751 4493 1 8 . 1 1 2 2 GLU H H 2 8.617 8.617 9.081 -0.464 19751 4494 1 8 . 1 1 3 3 SER N N 3 116.623 116.623 115.408 1.215 19751 4495 1 8 . 1 1 3 3 SER HA H 3 4.597 4.597 4.653 -0.056 19751 4496 1 8 . 1 1 3 3 SER C C 3 174.294 174.294 172.771 1.523 19751 4497 1 8 . 1 1 3 3 SER CA C 3 58.386 58.386 57.537 0.849 19751 4498 1 8 . 1 1 3 3 SER CB C 3 64.039 64.039 65.079 -1.040 19751 4499 1 8 . 1 1 3 3 SER H H 3 8.305 8.305 8.010 0.295 19751 4500 1 8 . 1 1 4 4 VAL N N 4 121.759 121.759 121.152 0.607 19751 4501 1 8 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.284 0.025 19751 4502 1 8 . 1 1 4 4 VAL C C 4 176.177 176.177 174.198 1.979 19751 4503 1 8 . 1 1 4 4 VAL CA C 4 61.709 61.709 62.328 -0.619 19751 4504 1 8 . 1 1 4 4 VAL CB C 4 33.355 33.355 34.023 -0.668 19751 4505 1 8 . 1 1 4 4 VAL H H 4 8.303 8.303 8.339 -0.036 19751 4506 1 8 . 1 1 5 5 THR N N 5 118.335 118.335 119.394 -1.059 19751 4507 1 8 . 1 1 5 5 THR HA H 5 4.592 4.592 4.613 -0.021 19751 4508 1 8 . 1 1 5 5 THR C C 5 173.579 173.579 174.117 -0.538 19751 4509 1 8 . 1 1 5 5 THR CA C 5 62.022 62.022 62.204 -0.182 19751 4510 1 8 . 1 1 5 5 THR CB C 5 70.047 70.047 70.057 -0.010 19751 4511 1 8 . 1 1 5 5 THR H H 5 8.319 8.319 8.122 0.197 19751 4512 1 8 . 1 1 6 6 MET N N 6 123.858 123.858 125.625 -1.767 19751 4513 1 8 . 1 1 6 6 MET CA C 6 57.260 57.260 55.500 1.760 19751 4514 1 8 . 1 1 6 6 MET CB C 6 33.780 33.780 32.999 0.781 19751 4515 1 8 . 1 1 6 6 MET H H 6 8.035 8.035 8.589 -0.554 19751 4516 1 8 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.716 -0.219 19751 4517 1 8 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.021 1.129 19751 4518 1 8 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.751 -1.487 19751 4519 1 8 . 1 1 8 8 GLY N N 8 114.130 114.130 109.055 5.075 19751 4520 1 8 . 1 1 8 8 GLY CA C 8 45.613 45.613 45.372 0.241 19751 4521 1 8 . 1 1 8 8 GLY H H 8 8.386 8.386 8.254 0.132 19751 4522 1 8 . 1 1 9 9 LYS N N 9 120.803 120.803 121.854 -1.051 19751 4523 1 8 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.433 -0.089 19751 4524 1 8 . 1 1 9 9 LYS H H 9 8.021 8.021 8.047 -0.026 19751 4525 1 8 . 1 1 10 10 GLN N N 10 120.522 120.522 121.964 -1.442 19751 4526 1 8 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.448 0.019 19751 4527 1 8 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.450 -0.169 19751 4528 1 8 . 1 1 10 10 GLN CB C 10 30.410 30.410 29.673 0.737 19751 4529 1 8 . 1 1 10 10 GLN H H 10 8.246 8.246 8.232 0.014 19751 4530 1 8 . 1 1 11 11 TYR N N 11 121.213 121.213 122.331 -1.118 19751 4531 1 8 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.939 -0.640 19751 4532 1 8 . 1 1 11 11 TYR CA C 11 56.949 56.949 58.185 -1.236 19751 4533 1 8 . 1 1 11 11 TYR CB C 11 43.274 43.274 39.935 3.339 19751 4534 1 8 . 1 1 11 11 TYR H H 11 8.873 8.873 8.565 0.308 19751 4535 1 8 . 1 1 12 12 SER N N 12 117.406 117.406 115.790 1.616 19751 4536 1 8 . 1 1 12 12 SER HA H 12 4.715 4.715 4.691 0.024 19751 4537 1 8 . 1 1 12 12 SER CA C 12 57.374 57.374 57.483 -0.109 19751 4538 1 8 . 1 1 12 12 SER CB C 12 63.946 63.946 64.799 -0.853 19751 4539 1 8 . 1 1 12 12 SER H H 12 9.047 9.047 8.361 0.686 19751 4540 1 8 . 1 1 13 13 THR N N 13 112.091 112.091 116.112 -4.021 19751 4541 1 8 . 1 1 13 13 THR HA H 13 4.929 4.929 4.711 0.218 19751 4542 1 8 . 1 1 13 13 THR CA C 13 60.716 60.716 62.719 -2.003 19751 4543 1 8 . 1 1 13 13 THR CB C 13 71.808 71.808 69.311 2.497 19751 4544 1 8 . 1 1 13 13 THR H H 13 8.235 8.235 8.284 -0.049 19751 4545 1 8 . 1 1 14 14 ILE N N 14 120.891 120.891 123.092 -2.201 19751 4546 1 8 . 1 1 14 14 ILE H H 14 9.108 9.108 8.142 0.966 19751 4547 1 8 . 1 1 15 15 GLU N N 15 127.598 127.598 127.549 0.049 19751 4548 1 8 . 1 1 15 15 GLU H H 15 8.300 8.300 8.359 -0.059 19751 4549 1 8 . 1 1 16 16 VAL N N 16 126.224 126.224 122.277 3.947 19751 4550 1 8 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.284 0.000 19751 4551 1 8 . 1 1 16 16 VAL CA C 16 61.835 61.835 60.817 1.018 19751 4552 1 8 . 1 1 16 16 VAL CB C 16 34.896 34.896 33.400 1.496 19751 4553 1 8 . 1 1 16 16 VAL H H 16 9.320 9.320 8.178 1.142 19751 4554 1 8 . 1 1 17 17 ASN N N 17 123.394 123.394 126.826 -3.432 19751 4555 1 8 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.456 0.708 19751 4556 1 8 . 1 1 17 17 ASN CA C 17 53.549 53.549 54.113 -0.564 19751 4557 1 8 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.106 0.109 19751 4558 1 8 . 1 1 17 17 ASN H H 17 9.310 9.310 9.146 0.164 19751 4559 1 8 . 1 1 18 18 GLY H H 18 9.024 9.024 8.561 0.463 19751 4560 1 8 . 1 1 19 19 GLN N N 19 119.994 119.994 119.845 0.149 19751 4561 1 8 . 1 1 19 19 GLN H H 19 7.990 7.990 7.793 0.197 19751 4562 1 8 . 1 1 20 20 THR N N 20 117.472 117.472 116.290 1.182 19751 4563 1 8 . 1 1 20 20 THR HA H 20 4.384 4.384 4.285 0.099 19751 4564 1 8 . 1 1 20 20 THR CA C 20 63.334 63.334 60.099 3.235 19751 4565 1 8 . 1 1 20 20 THR CB C 20 69.401 69.401 70.180 -0.779 19751 4566 1 8 . 1 1 20 20 THR H H 20 8.401 8.401 8.338 0.063 19751 4567 1 8 . 1 1 21 21 TYR N N 21 126.847 126.847 123.174 3.673 19751 4568 1 8 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.740 -0.578 19751 4569 1 8 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.427 0.060 19751 4570 1 8 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.582 3.748 19751 4571 1 8 . 1 1 21 21 TYR H H 21 9.367 9.367 8.192 1.175 19751 4572 1 8 . 1 1 22 22 LEU N N 22 118.537 118.537 119.976 -1.439 19751 4573 1 8 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.879 -0.687 19751 4574 1 8 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.532 2.390 19751 4575 1 8 . 1 1 22 22 LEU CB C 22 43.212 43.212 43.723 -0.511 19751 4576 1 8 . 1 1 22 22 LEU H H 22 9.060 9.060 8.534 0.526 19751 4577 1 8 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.572 -0.181 19751 4578 1 8 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.841 0.493 19751 4579 1 8 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.427 -0.287 19751 4580 1 8 . 1 1 25 25 ASP N N 25 121.554 121.554 121.661 -0.107 19751 4581 1 8 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.778 -0.186 19751 4582 1 8 . 1 1 25 25 ASP CA C 25 54.308 54.308 54.187 0.121 19751 4583 1 8 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.700 -0.613 19751 4584 1 8 . 1 1 25 25 ASP H H 25 8.324 8.324 8.661 -0.337 19751 4585 1 8 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.677 0.062 19751 4586 1 8 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.121 -0.465 19751 4587 1 8 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.358 -0.226 19751 4588 1 8 . 1 1 27 27 GLY N N 27 109.206 109.206 108.600 0.606 19751 4589 1 8 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.922 0.492 19751 4590 1 8 . 1 1 27 27 GLY H H 27 8.494 8.494 9.499 -1.005 19751 4591 1 8 . 1 1 28 28 SER N N 28 116.238 116.238 117.314 -1.076 19751 4592 1 8 . 1 1 28 28 SER HA H 28 4.384 4.384 4.511 -0.127 19751 4593 1 8 . 1 1 28 28 SER CA C 28 60.226 60.226 57.788 2.438 19751 4594 1 8 . 1 1 28 28 SER CB C 28 63.818 63.818 65.137 -1.319 19751 4595 1 8 . 1 1 28 28 SER H H 28 8.372 8.372 8.135 0.237 19751 4596 1 8 . 1 1 29 29 LYS N N 29 121.905 121.905 122.977 -1.072 19751 4597 1 8 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.639 -0.308 19751 4598 1 8 . 1 1 29 29 LYS CA C 29 56.353 56.353 56.488 -0.135 19751 4599 1 8 . 1 1 29 29 LYS CB C 29 33.347 33.347 34.012 -0.665 19751 4600 1 8 . 1 1 29 29 LYS H H 29 8.027 8.027 8.377 -0.350 19751 4601 1 8 . 1 1 30 30 LYS N N 30 122.663 122.663 122.682 -0.019 19751 4602 1 8 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.497 -0.203 19751 4603 1 8 . 1 1 30 30 LYS CA C 30 56.214 56.214 56.501 -0.287 19751 4604 1 8 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.320 -0.149 19751 4605 1 8 . 1 1 30 30 LYS H H 30 8.223 8.223 8.515 -0.292 19751 4606 1 8 . 1 1 31 31 ARG N N 31 123.469 123.469 124.170 -0.701 19751 4607 1 8 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.585 -0.230 19751 4608 1 8 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.467 0.828 19751 4609 1 8 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.179 0.675 19751 4610 1 8 . 1 1 31 31 ARG H H 31 8.404 8.404 8.320 0.084 19751 4611 1 8 . 1 1 32 32 VAL N N 32 122.456 122.456 118.620 3.836 19751 4612 1 8 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.613 -0.370 19751 4613 1 8 . 1 1 32 32 VAL CA C 32 62.316 62.316 61.831 0.485 19751 4614 1 8 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.357 -0.494 19751 4615 1 8 . 1 1 32 32 VAL H H 32 8.214 8.214 8.386 -0.172 19751 4616 1 8 . 1 1 33 33 ALA N N 33 127.685 127.685 127.749 -0.064 19751 4617 1 8 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.465 -0.163 19751 4618 1 8 . 1 1 33 33 ALA CA C 33 52.617 52.617 52.247 0.370 19751 4619 1 8 . 1 1 33 33 ALA CB C 33 19.308 19.308 19.757 -0.449 19751 4620 1 8 . 1 1 33 33 ALA H H 33 8.374 8.374 8.317 0.057 19751 4621 1 8 . 1 1 34 34 ARG N N 34 119.922 119.922 122.571 -2.649 19751 4622 1 8 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.744 -0.421 19751 4623 1 8 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.828 0.992 19751 4624 1 8 . 1 1 34 34 ARG CB C 34 30.160 30.160 30.889 -0.729 19751 4625 1 8 . 1 1 34 34 ARG H H 34 8.652 8.652 8.897 -0.245 19751 4626 1 8 . 1 1 35 35 SER N N 35 116.881 116.881 118.866 -1.985 19751 4627 1 8 . 1 1 35 35 SER HA H 35 4.543 4.543 4.735 -0.192 19751 4628 1 8 . 1 1 35 35 SER CA C 35 58.440 58.440 57.385 1.055 19751 4629 1 8 . 1 1 35 35 SER CB C 35 64.094 64.094 64.469 -0.375 19751 4630 1 8 . 1 1 35 35 SER H H 35 8.359 8.359 8.668 -0.309 19751 4631 1 8 . 1 1 36 36 LEU N N 36 124.595 124.595 123.988 0.607 19751 4632 1 8 . 1 1 36 36 LEU HA H 36 4.373 4.373 5.002 -0.629 19751 4633 1 8 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.246 0.348 19751 4634 1 8 . 1 1 36 36 LEU CB C 36 42.278 42.278 44.152 -1.874 19751 4635 1 8 . 1 1 36 36 LEU H H 36 8.546 8.546 8.662 -0.116 19751 4636 1 8 . 1 1 37 37 ASP N N 37 119.422 119.422 123.821 -4.399 19751 4637 1 8 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.327 -0.735 19751 4638 1 8 . 1 1 37 37 ASP CA C 37 54.308 54.308 54.032 0.276 19751 4639 1 8 . 1 1 37 37 ASP CB C 37 41.182 41.182 43.065 -1.883 19751 4640 1 8 . 1 1 37 37 ASP H H 37 8.186 8.186 8.968 -0.782 19751 4641 1 8 . 1 1 38 38 SER N N 38 116.413 116.413 116.390 0.023 19751 4642 1 8 . 1 1 38 38 SER HA H 38 4.450 4.450 4.992 -0.542 19751 4643 1 8 . 1 1 38 38 SER CA C 38 58.499 58.499 57.389 1.110 19751 4644 1 8 . 1 1 38 38 SER CB C 38 63.818 63.818 64.224 -0.406 19751 4645 1 8 . 1 1 38 38 SER H H 38 8.177 8.177 8.422 -0.245 19751 4646 1 8 . 1 1 39 39 LYS N N 39 123.095 123.095 122.887 0.208 19751 4647 1 8 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.957 -0.620 19751 4648 1 8 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.341 1.338 19751 4649 1 8 . 1 1 39 39 LYS CB C 39 32.232 32.232 34.957 -2.725 19751 4650 1 8 . 1 1 39 39 LYS H H 39 8.379 8.379 8.546 -0.167 19751 4651 1 8 . 1 1 40 40 VAL N N 40 122.475 122.475 121.252 1.223 19751 4652 1 8 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.206 0.182 19751 4653 1 8 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.378 -1.217 19751 4654 1 8 . 1 1 40 40 VAL CB C 40 32.615 32.615 33.435 -0.820 19751 4655 1 8 . 1 1 40 40 VAL H H 40 8.069 8.069 8.616 -0.547 19751 4656 1 8 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.646 -0.225 19751 4657 1 8 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.122 -0.364 19751 4658 1 8 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.788 1.520 19751 4659 1 8 . 1 1 42 42 GLN N N 42 121.230 121.230 122.753 -1.523 19751 4660 1 8 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.429 -0.150 19751 4661 1 8 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.934 0.095 19751 4662 1 8 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.560 -0.841 19751 4663 1 8 . 1 1 42 42 GLN H H 42 8.482 8.482 8.582 -0.100 19751 4664 1 8 . 1 1 43 43 GLN N N 43 121.831 121.831 123.533 -1.702 19751 4665 1 8 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.743 -0.354 19751 4666 1 8 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.916 0.008 19751 4667 1 8 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.380 -0.851 19751 4668 1 8 . 1 1 43 43 GLN H H 43 8.506 8.506 8.787 -0.281 19751 4669 1 8 . 1 1 44 44 THR N N 44 116.251 116.251 117.471 -1.220 19751 4670 1 8 . 1 1 44 44 THR HA H 44 4.302 4.302 4.684 -0.382 19751 4671 1 8 . 1 1 44 44 THR CA C 44 61.922 61.922 61.646 0.276 19751 4672 1 8 . 1 1 44 44 THR CB C 44 69.811 69.811 70.258 -0.447 19751 4673 1 8 . 1 1 44 44 THR H H 44 8.231 8.231 8.243 -0.012 19751 4674 1 8 . 1 1 45 45 LEU N N 45 125.046 125.046 123.886 1.160 19751 4675 1 8 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.573 -0.075 19751 4676 1 8 . 1 1 45 45 LEU CA C 45 55.107 55.107 55.293 -0.186 19751 4677 1 8 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.657 -0.845 19751 4678 1 8 . 1 1 45 45 LEU H H 45 8.257 8.257 8.308 -0.051 19751 4679 1 8 . 1 1 46 46 ARG N N 46 120.522 120.522 122.586 -2.064 19751 4680 1 8 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.698 -0.465 19751 4681 1 8 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.567 0.897 19751 4682 1 8 . 1 1 46 46 ARG CB C 46 29.971 29.971 31.497 -1.526 19751 4683 1 8 . 1 1 46 46 ARG H H 46 8.007 8.007 8.510 -0.503 19751 4684 1 8 . 1 1 47 47 ARG N N 47 121.010 121.010 120.209 0.801 19751 4685 1 8 . 1 1 47 47 ARG H H 47 8.324 8.324 8.612 -0.288 19751 4686 1 8 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.846 0.493 19751 4687 1 8 . 1 1 49 49 ASP N N 49 120.513 120.513 124.362 -3.849 19751 4688 1 8 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.620 -0.001 19751 4689 1 8 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.933 0.397 19751 4690 1 8 . 1 1 49 49 ASP CB C 49 41.163 41.163 41.676 -0.513 19751 4691 1 8 . 1 1 49 49 ASP H H 49 8.225 8.225 8.067 0.158 19751 4692 1 8 . 1 1 50 50 VAL N N 50 119.718 119.718 126.619 -6.901 19751 4693 1 8 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.448 -0.376 19751 4694 1 8 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.999 0.403 19751 4695 1 8 . 1 1 50 50 VAL CB C 50 32.794 32.794 32.400 0.394 19751 4696 1 8 . 1 1 50 50 VAL H H 50 8.024 8.024 8.380 -0.356 19751 4697 1 8 . 1 1 51 51 LEU N N 51 125.249 125.249 129.454 -4.205 19751 4698 1 8 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.801 -0.455 19751 4699 1 8 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.559 -0.189 19751 4700 1 8 . 1 1 51 51 LEU CB C 51 42.379 42.379 42.846 -0.467 19751 4701 1 8 . 1 1 51 51 LEU H H 51 8.305 8.305 8.445 -0.140 19751 4702 1 8 . 1 1 52 52 MET HA H 52 4.458 4.458 4.595 -0.137 19751 4703 1 8 . 1 1 52 52 MET CA C 52 55.417 55.417 55.976 -0.559 19751 4704 1 8 . 1 1 52 52 MET CB C 52 32.264 32.264 33.395 -1.131 19751 4705 1 8 . 1 1 53 53 GLN N N 53 121.447 121.447 123.152 -1.705 19751 4706 1 8 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.179 -0.872 19751 4707 1 8 . 1 1 53 53 GLN CA C 53 56.214 56.214 56.135 0.079 19751 4708 1 8 . 1 1 53 53 GLN CB C 53 29.697 29.697 31.746 -2.049 19751 4709 1 8 . 1 1 53 53 GLN H H 53 8.373 8.373 9.160 -0.787 19751 4710 1 8 . 1 1 54 54 GLY N N 54 110.484 110.484 109.755 0.729 19751 4711 1 8 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.059 0.191 19751 4712 1 8 . 1 1 54 54 GLY H H 54 8.456 8.456 9.038 -0.582 19751 4713 1 8 . 1 1 55 55 ALA N N 55 123.673 123.673 123.492 0.181 19751 4714 1 8 . 1 1 55 55 ALA HA H 55 4.307 4.307 5.357 -1.050 19751 4715 1 8 . 1 1 55 55 ALA C C 55 177.397 177.397 177.175 0.222 19751 4716 1 8 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.577 0.040 19751 4717 1 8 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.024 -0.716 19751 4718 1 8 . 1 1 55 55 ALA H H 55 8.113 8.113 10.381 -2.268 19751 4719 1 8 . 1 1 56 56 ALA N N 56 123.295 123.295 125.713 -2.418 19751 4720 1 8 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.184 -0.881 19751 4721 1 8 . 1 1 56 56 ALA C C 56 177.446 177.446 176.365 1.081 19751 4722 1 8 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.889 0.544 19751 4723 1 8 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.390 -1.082 19751 4724 1 8 . 1 1 56 56 ALA H H 56 8.297 8.297 9.115 -0.818 19751 4725 1 8 . 1 1 57 57 SER N N 57 116.534 116.534 117.127 -0.593 19751 4726 1 8 . 1 1 57 57 SER HA H 57 4.737 4.737 4.516 0.221 19751 4727 1 8 . 1 1 57 57 SER CA C 57 56.332 56.332 57.725 -1.393 19751 4728 1 8 . 1 1 57 57 SER CB C 57 63.567 63.567 63.163 0.404 19751 4729 1 8 . 1 1 57 57 SER H H 57 8.258 8.258 8.386 -0.128 19751 4730 1 8 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.547 -0.145 19751 4731 1 8 . 1 1 58 58 PRO C C 58 176.874 176.874 175.677 1.197 19751 4732 1 8 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.414 -0.057 19751 4733 1 8 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.213 -0.178 19751 4734 1 8 . 1 1 59 59 GLU N N 59 120.545 120.545 121.103 -0.558 19751 4735 1 8 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.478 -0.242 19751 4736 1 8 . 1 1 59 59 GLU C C 59 176.383 176.383 174.662 1.721 19751 4737 1 8 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.792 0.783 19751 4738 1 8 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.268 -1.165 19751 4739 1 8 . 1 1 59 59 GLU H H 59 8.556 8.556 8.384 0.172 19751 4740 1 8 . 1 1 60 60 LEU N N 60 122.946 122.946 122.894 0.052 19751 4741 1 8 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.713 -0.269 19751 4742 1 8 . 1 1 60 60 LEU C C 60 177.201 177.201 176.081 1.120 19751 4743 1 8 . 1 1 60 60 LEU CA C 60 55.120 55.120 55.059 0.061 19751 4744 1 8 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.298 -1.010 19751 4745 1 8 . 1 1 60 60 LEU H H 60 8.205 8.205 8.541 -0.336 19751 4746 1 8 . 1 1 61 61 THR N N 61 115.168 115.168 116.614 -1.446 19751 4747 1 8 . 1 1 61 61 THR HA H 61 4.380 4.380 4.571 -0.191 19751 4748 1 8 . 1 1 61 61 THR C C 61 174.201 174.201 173.280 0.921 19751 4749 1 8 . 1 1 61 61 THR CA C 61 61.792 61.792 61.846 -0.054 19751 4750 1 8 . 1 1 61 61 THR CB C 61 69.770 69.770 68.864 0.906 19751 4751 1 8 . 1 1 61 61 THR H H 61 8.149 8.149 8.456 -0.307 19751 4752 1 8 . 1 1 62 62 VAL N N 62 121.650 121.650 124.902 -3.252 19751 4753 1 8 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.394 -0.075 19751 4754 1 8 . 1 1 62 62 VAL C C 62 175.921 175.921 173.506 2.415 19751 4755 1 8 . 1 1 62 62 VAL CA C 62 61.709 61.709 60.655 1.054 19751 4756 1 8 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.378 -1.023 19751 4757 1 8 . 1 1 62 62 VAL H H 62 8.091 8.091 8.230 -0.139 19751 4758 1 8 . 1 1 63 63 SER N N 63 120.076 120.076 119.747 0.329 19751 4759 1 8 . 1 1 63 63 SER HA H 63 4.542 4.542 4.717 -0.175 19751 4760 1 8 . 1 1 63 63 SER C C 63 174.254 174.254 172.975 1.279 19751 4761 1 8 . 1 1 63 63 SER CA C 63 58.375 58.375 57.583 0.792 19751 4762 1 8 . 1 1 63 63 SER CB C 63 64.196 64.196 65.092 -0.896 19751 4763 1 8 . 1 1 63 63 SER H H 63 8.524 8.524 8.297 0.227 19751 4764 1 8 . 1 1 64 64 GLY N N 64 109.912 109.912 110.117 -0.205 19751 4765 1 8 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.800 -0.416 19751 4766 1 8 . 1 1 64 64 GLY H H 64 8.255 8.255 8.622 -0.367 19751 4767 1 8 . 1 1 65 65 THR N N 65 114.200 114.200 115.374 -1.174 19751 4768 1 8 . 1 1 65 65 THR HA H 65 4.929 4.929 5.189 -0.260 19751 4769 1 8 . 1 1 65 65 THR CA C 65 60.826 60.826 61.266 -0.439 19751 4770 1 8 . 1 1 65 65 THR CB C 65 71.805 71.805 72.321 -0.516 19751 4771 1 8 . 1 1 65 65 THR H H 65 8.468 8.468 7.852 0.616 19751 4772 1 8 . 1 1 66 66 LEU N N 66 122.673 122.673 121.756 0.917 19751 4773 1 8 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.655 0.266 19751 4774 1 8 . 1 1 66 66 LEU C C 66 174.364 174.364 174.277 0.087 19751 4775 1 8 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.661 -1.252 19751 4776 1 8 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.760 -2.310 19751 4777 1 8 . 1 1 66 66 LEU H H 66 9.054 9.054 8.606 0.448 19751 4778 1 8 . 1 1 67 67 LEU N N 67 124.219 124.219 125.557 -1.338 19751 4779 1 8 . 1 1 67 67 LEU HA H 67 5.208 5.208 5.025 0.183 19751 4780 1 8 . 1 1 67 67 LEU C C 67 177.107 177.107 175.847 1.260 19751 4781 1 8 . 1 1 67 67 LEU CA C 67 53.773 53.773 53.868 -0.095 19751 4782 1 8 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.750 0.456 19751 4783 1 8 . 1 1 67 67 LEU H H 67 8.927 8.927 8.907 0.020 19751 4784 1 8 . 1 1 68 68 VAL N N 68 121.113 121.113 125.427 -4.314 19751 4785 1 8 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.212 0.644 19751 4786 1 8 . 1 1 68 68 VAL C C 68 174.079 174.079 174.306 -0.227 19751 4787 1 8 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.485 -0.627 19751 4788 1 8 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.885 0.130 19751 4789 1 8 . 1 1 68 68 VAL H H 68 9.345 9.345 8.971 0.374 19751 4790 1 8 . 1 1 69 69 GLU N N 69 127.682 127.682 130.784 -3.102 19751 4791 1 8 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.519 0.380 19751 4792 1 8 . 1 1 69 69 GLU C C 69 173.485 173.485 174.970 -1.485 19751 4793 1 8 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.727 -1.380 19751 4794 1 8 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.885 0.086 19751 4795 1 8 . 1 1 69 69 GLU H H 69 8.110 8.110 8.720 -0.610 19751 4796 1 8 . 1 1 70 70 ALA N N 70 130.042 130.042 127.931 2.111 19751 4797 1 8 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.549 0.015 19751 4798 1 8 . 1 1 70 70 ALA C C 70 174.853 174.853 175.634 -0.781 19751 4799 1 8 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.433 0.271 19751 4800 1 8 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.236 0.195 19751 4801 1 8 . 1 1 70 70 ALA H H 70 7.991 7.991 7.742 0.249 19751 4802 1 8 . 1 1 71 71 ASP N N 71 117.021 117.021 119.762 -2.741 19751 4803 1 8 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.749 -0.169 19751 4804 1 8 . 1 1 71 71 ASP C C 71 175.160 175.160 176.860 -1.700 19751 4805 1 8 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.677 -0.634 19751 4806 1 8 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.956 -2.034 19751 4807 1 8 . 1 1 71 71 ASP H H 71 8.025 8.025 8.404 -0.379 19751 4808 1 8 . 1 1 72 72 ASP N N 72 119.867 119.867 121.009 -1.142 19751 4809 1 8 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.720 0.403 19751 4810 1 8 . 1 1 72 72 ASP C C 72 177.598 177.598 177.236 0.362 19751 4811 1 8 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.140 1.317 19751 4812 1 8 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.813 -0.824 19751 4813 1 8 . 1 1 72 72 ASP H H 72 8.644 8.644 8.633 0.011 19751 4814 1 8 . 1 1 73 73 ALA N N 73 120.735 120.735 120.200 0.535 19751 4815 1 8 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.052 -0.100 19751 4816 1 8 . 1 1 73 73 ALA C C 73 181.711 181.711 179.947 1.764 19751 4817 1 8 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.714 0.643 19751 4818 1 8 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.234 -0.413 19751 4819 1 8 . 1 1 73 73 ALA H H 73 8.212 8.212 8.351 -0.140 19751 4820 1 8 . 1 1 74 74 SER N N 74 116.971 116.971 113.972 2.999 19751 4821 1 8 . 1 1 74 74 SER HA H 74 4.207 4.207 4.257 -0.050 19751 4822 1 8 . 1 1 74 74 SER C C 74 176.918 176.918 176.151 0.767 19751 4823 1 8 . 1 1 74 74 SER CA C 74 61.632 61.632 60.021 1.611 19751 4824 1 8 . 1 1 74 74 SER CB C 74 62.233 62.233 63.442 -1.209 19751 4825 1 8 . 1 1 74 74 SER H H 74 8.376 8.376 7.476 0.900 19751 4826 1 8 . 1 1 75 75 ALA N N 75 124.844 124.844 125.448 -0.604 19751 4827 1 8 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.788 0.034 19751 4828 1 8 . 1 1 75 75 ALA C C 75 179.160 179.160 178.846 0.314 19751 4829 1 8 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.213 0.088 19751 4830 1 8 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.669 0.843 19751 4831 1 8 . 1 1 75 75 ALA H H 75 9.121 9.121 7.906 1.215 19751 4832 1 8 . 1 1 76 76 LYS N N 76 117.821 117.821 117.599 0.222 19751 4833 1 8 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.971 -0.166 19751 4834 1 8 . 1 1 76 76 LYS C C 76 179.175 179.175 178.525 0.650 19751 4835 1 8 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.229 0.909 19751 4836 1 8 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.817 0.545 19751 4837 1 8 . 1 1 76 76 LYS H H 76 8.306 8.306 7.775 0.531 19751 4838 1 8 . 1 1 77 77 ALA N N 77 122.703 122.703 121.039 1.664 19751 4839 1 8 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.165 0.025 19751 4840 1 8 . 1 1 77 77 ALA C C 77 180.868 180.868 179.559 1.309 19751 4841 1 8 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.513 0.639 19751 4842 1 8 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.210 -0.378 19751 4843 1 8 . 1 1 77 77 ALA H H 77 7.584 7.584 7.672 -0.088 19751 4844 1 8 . 1 1 78 78 LEU N N 78 120.574 120.574 119.350 1.224 19751 4845 1 8 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.116 -0.080 19751 4846 1 8 . 1 1 78 78 LEU C C 78 178.870 178.870 179.160 -0.290 19751 4847 1 8 . 1 1 78 78 LEU CA C 78 57.888 57.888 57.198 0.690 19751 4848 1 8 . 1 1 78 78 LEU CB C 78 42.479 42.479 42.011 0.468 19751 4849 1 8 . 1 1 78 78 LEU H H 78 8.338 8.338 7.841 0.497 19751 4850 1 8 . 1 1 79 79 ALA N N 79 121.156 121.156 121.217 -0.061 19751 4851 1 8 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.118 -0.223 19751 4852 1 8 . 1 1 79 79 ALA C C 79 179.393 179.393 178.956 0.437 19751 4853 1 8 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.197 0.563 19751 4854 1 8 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.497 -1.241 19751 4855 1 8 . 1 1 79 79 ALA H H 79 8.491 8.491 8.435 0.056 19751 4856 1 8 . 1 1 80 80 THR N N 80 114.097 114.097 112.465 1.632 19751 4857 1 8 . 1 1 80 80 THR HA H 80 4.048 4.048 4.187 -0.139 19751 4858 1 8 . 1 1 80 80 THR C C 80 177.034 177.034 176.520 0.514 19751 4859 1 8 . 1 1 80 80 THR CA C 80 66.139 66.139 65.739 0.400 19751 4860 1 8 . 1 1 80 80 THR CB C 80 69.243 69.243 69.145 0.098 19751 4861 1 8 . 1 1 80 80 THR H H 80 8.111 8.111 7.644 0.467 19751 4862 1 8 . 1 1 81 81 ARG N N 81 121.321 121.321 120.116 1.205 19751 4863 1 8 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.085 -0.142 19751 4864 1 8 . 1 1 81 81 ARG C C 81 177.546 177.546 178.077 -0.531 19751 4865 1 8 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.571 0.469 19751 4866 1 8 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.330 0.393 19751 4867 1 8 . 1 1 81 81 ARG H H 81 7.893 7.893 7.679 0.214 19751 4868 1 8 . 1 1 82 82 HIS N N 82 113.320 113.320 114.373 -1.053 19751 4869 1 8 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.548 0.161 19751 4870 1 8 . 1 1 82 82 HIS C C 82 174.918 174.918 176.377 -1.459 19751 4871 1 8 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.401 -1.238 19751 4872 1 8 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.451 1.057 19751 4873 1 8 . 1 1 82 82 HIS H H 82 7.684 7.684 7.949 -0.265 19751 4874 1 8 . 1 1 83 83 GLY N N 83 109.763 109.763 107.010 2.753 19751 4875 1 8 . 1 1 83 83 GLY C C 83 174.866 174.866 174.240 0.626 19751 4876 1 8 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.977 2.300 19751 4877 1 8 . 1 1 83 83 GLY H H 83 7.707 7.707 7.679 0.028 19751 4878 1 8 . 1 1 84 84 LEU N N 84 119.225 119.225 118.125 1.100 19751 4879 1 8 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.660 0.174 19751 4880 1 8 . 1 1 84 84 LEU C C 84 174.880 174.880 176.425 -1.545 19751 4881 1 8 . 1 1 84 84 LEU CA C 84 52.869 52.869 53.872 -1.003 19751 4882 1 8 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.924 2.159 19751 4883 1 8 . 1 1 84 84 LEU H H 84 8.672 8.672 7.296 1.376 19751 4884 1 8 . 1 1 85 85 ASN N N 85 117.042 117.042 118.224 -1.182 19751 4885 1 8 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.923 0.245 19751 4886 1 8 . 1 1 85 85 ASN C C 85 175.212 175.212 174.264 0.948 19751 4887 1 8 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.296 -0.438 19751 4888 1 8 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.709 0.173 19751 4889 1 8 . 1 1 85 85 ASN H H 85 8.955 8.955 7.849 1.106 19751 4890 1 8 . 1 1 86 86 PHE N N 86 126.957 126.957 126.989 -0.032 19751 4891 1 8 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.456 -0.015 19751 4892 1 8 . 1 1 86 86 PHE C C 86 173.744 173.744 174.817 -1.073 19751 4893 1 8 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.849 0.757 19751 4894 1 8 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.062 0.002 19751 4895 1 8 . 1 1 86 86 PHE H H 86 9.221 9.221 8.923 0.298 19751 4896 1 8 . 1 1 87 87 LYS N N 87 129.305 129.305 127.886 1.419 19751 4897 1 8 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.140 0.211 19751 4898 1 8 . 1 1 87 87 LYS C C 87 175.203 175.203 175.979 -0.776 19751 4899 1 8 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.810 -0.113 19751 4900 1 8 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.346 0.228 19751 4901 1 8 . 1 1 87 87 LYS H H 87 8.397 8.397 8.735 -0.338 19751 4902 1 8 . 1 1 88 88 GLN N N 88 110.785 110.785 114.391 -3.606 19751 4903 1 8 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.262 0.129 19751 4904 1 8 . 1 1 88 88 GLN C C 88 185.308 185.308 173.682 11.626 19751 4905 1 8 . 1 1 88 88 GLN CA C 88 54.753 54.753 55.137 -0.384 19751 4906 1 8 . 1 1 88 88 GLN H H 88 6.855 6.855 7.537 -0.682 19751 4907 1 8 . 1 1 89 89 SER N N 89 113.927 113.927 115.106 -1.179 19751 4908 1 8 . 1 1 89 89 SER HA H 89 5.298 5.298 5.429 -0.131 19751 4909 1 8 . 1 1 89 89 SER C C 89 173.757 173.757 174.158 -0.401 19751 4910 1 8 . 1 1 89 89 SER CA C 89 56.776 56.776 56.940 -0.164 19751 4911 1 8 . 1 1 89 89 SER CB C 89 67.417 67.417 65.538 1.879 19751 4912 1 8 . 1 1 89 89 SER H H 89 8.718 8.718 8.524 0.194 19751 4913 1 8 . 1 1 90 90 SER N N 90 114.246 114.246 117.423 -3.177 19751 4914 1 8 . 1 1 90 90 SER HA H 90 4.597 4.597 4.772 -0.175 19751 4915 1 8 . 1 1 90 90 SER CA C 90 58.356 58.356 57.143 1.213 19751 4916 1 8 . 1 1 90 90 SER CB C 90 63.952 63.952 63.658 0.294 19751 4917 1 8 . 1 1 90 90 SER H H 90 8.479 8.479 8.516 -0.037 19751 4918 1 8 . 1 1 91 91 GLY N N 91 116.101 116.101 108.129 7.972 19751 4919 1 8 . 1 1 91 91 GLY C C 91 174.853 174.853 174.979 -0.126 19751 4920 1 8 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.293 1.862 19751 4921 1 8 . 1 1 91 91 GLY H H 91 8.490 8.490 8.182 0.308 19751 4922 1 8 . 1 1 92 92 GLY N N 92 107.199 107.199 108.188 -0.989 19751 4923 1 8 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.066 -0.401 19751 4924 1 8 . 1 1 92 92 GLY H H 92 8.914 8.914 8.268 0.646 19751 4925 1 8 . 1 1 93 93 ILE N N 93 118.958 118.958 115.406 3.552 19751 4926 1 8 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.808 -0.070 19751 4927 1 8 . 1 1 93 93 ILE C C 93 175.050 175.050 173.432 1.618 19751 4928 1 8 . 1 1 93 93 ILE CA C 93 58.535 58.535 60.024 -1.489 19751 4929 1 8 . 1 1 93 93 ILE CB C 93 38.109 38.109 40.895 -2.786 19751 4930 1 8 . 1 1 93 93 ILE H H 93 7.540 7.540 7.540 0.000 19751 4931 1 8 . 1 1 94 94 ALA N N 94 131.032 131.032 128.729 2.303 19751 4932 1 8 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.353 -0.625 19751 4933 1 8 . 1 1 94 94 ALA C C 94 174.512 174.512 177.047 -2.535 19751 4934 1 8 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.130 0.308 19751 4935 1 8 . 1 1 94 94 ALA CB C 94 21.812 21.812 20.255 1.557 19751 4936 1 8 . 1 1 94 94 ALA H H 94 9.561 9.561 9.168 0.393 19751 4937 1 8 . 1 1 95 95 LEU N N 95 123.066 123.066 123.670 -0.604 19751 4938 1 8 . 1 1 95 95 LEU HA H 95 4.963 4.963 5.314 -0.351 19751 4939 1 8 . 1 1 95 95 LEU C C 95 174.922 174.922 175.934 -1.012 19751 4940 1 8 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.214 0.301 19751 4941 1 8 . 1 1 95 95 LEU CB C 95 43.205 43.205 41.534 1.671 19751 4942 1 8 . 1 1 95 95 LEU H H 95 8.641 8.641 8.857 -0.216 19751 4943 1 8 . 1 1 96 96 LEU N N 96 124.843 124.843 123.397 1.446 19751 4944 1 8 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.283 -0.112 19751 4945 1 8 . 1 1 96 96 LEU C C 96 175.059 175.059 176.764 -1.705 19751 4946 1 8 . 1 1 96 96 LEU CA C 96 52.639 52.639 52.678 -0.039 19751 4947 1 8 . 1 1 96 96 LEU CB C 96 44.269 44.269 44.601 -0.332 19751 4948 1 8 . 1 1 96 96 LEU H H 96 9.235 9.235 9.083 0.152 19751 4949 1 8 . 1 1 97 97 GLU N N 97 121.306 121.306 120.276 1.030 19751 4950 1 8 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.612 0.247 19751 4951 1 8 . 1 1 97 97 GLU C C 97 175.343 175.343 175.552 -0.209 19751 4952 1 8 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.872 0.219 19751 4953 1 8 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.764 2.651 19751 4954 1 8 . 1 1 97 97 GLU H H 97 9.113 9.113 8.459 0.654 19751 4955 1 8 . 1 1 98 98 ALA N N 98 126.658 126.658 128.615 -1.957 19751 4956 1 8 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.322 0.452 19751 4957 1 8 . 1 1 98 98 ALA C C 98 176.880 176.880 176.979 -0.099 19751 4958 1 8 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.939 -1.344 19751 4959 1 8 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.615 1.768 19751 4960 1 8 . 1 1 98 98 ALA H H 98 8.731 8.731 8.463 0.268 19751 4961 1 8 . 1 1 99 99 LYS N N 99 121.674 121.674 123.418 -1.744 19751 4962 1 8 . 1 1 99 99 LYS H H 99 8.636 8.636 8.436 0.200 19751 4963 1 8 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.235 0.227 19751 4964 1 8 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.837 -0.349 19751 4965 1 8 . 1 1 100 100 PRO CB C 100 32.186 32.186 31.072 1.114 19751 4966 1 8 . 1 1 101 101 GLY N N 101 110.695 110.695 115.115 -4.420 19751 4967 1 8 . 1 1 101 101 GLY C C 101 174.676 174.676 174.615 0.061 19751 4968 1 8 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.881 0.302 19751 4969 1 8 . 1 1 101 101 GLY H H 101 8.709 8.709 8.337 0.372 19751 4970 1 8 . 1 1 102 102 THR N N 102 116.771 116.771 118.170 -1.399 19751 4971 1 8 . 1 1 102 102 THR HA H 102 4.134 4.134 4.290 -0.156 19751 4972 1 8 . 1 1 102 102 THR CA C 102 62.998 62.998 63.249 -0.251 19751 4973 1 8 . 1 1 102 102 THR CB C 102 69.736 69.736 69.445 0.291 19751 4974 1 8 . 1 1 102 102 THR H H 102 7.652 7.652 7.550 0.102 19751 4975 1 8 . 1 1 103 103 ASP N N 103 125.950 125.950 127.714 -1.764 19751 4976 1 8 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.844 -0.140 19751 4977 1 8 . 1 1 103 103 ASP C C 103 175.907 175.907 177.126 -1.219 19751 4978 1 8 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.424 -0.677 19751 4979 1 8 . 1 1 103 103 ASP CB C 103 39.987 39.987 38.981 1.006 19751 4980 1 8 . 1 1 103 103 ASP H H 103 8.849 8.849 8.621 0.228 19751 4981 1 8 . 1 1 104 104 LEU N N 104 127.195 127.195 119.854 7.341 19751 4982 1 8 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.900 -0.029 19751 4983 1 8 . 1 1 104 104 LEU C C 104 178.528 178.528 178.000 0.528 19751 4984 1 8 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.296 -0.868 19751 4985 1 8 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.411 0.771 19751 4986 1 8 . 1 1 104 104 LEU H H 104 8.464 8.464 7.424 1.040 19751 4987 1 8 . 1 1 105 105 ASN N N 105 116.748 116.748 117.151 -0.403 19751 4988 1 8 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.290 0.047 19751 4989 1 8 . 1 1 105 105 ASN C C 105 177.999 177.999 176.763 1.236 19751 4990 1 8 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.715 -0.173 19751 4991 1 8 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.076 0.149 19751 4992 1 8 . 1 1 105 105 ASN H H 105 8.225 8.225 8.499 -0.274 19751 4993 1 8 . 1 1 106 106 ALA N N 106 123.704 123.704 121.527 2.177 19751 4994 1 8 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.237 -0.151 19751 4995 1 8 . 1 1 106 106 ALA C C 106 181.021 181.021 179.102 1.919 19751 4996 1 8 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.101 0.783 19751 4997 1 8 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.670 -0.687 19751 4998 1 8 . 1 1 106 106 ALA H H 106 7.810 7.810 7.524 0.286 19751 4999 1 8 . 1 1 107 107 ILE N N 107 118.676 118.676 119.296 -0.620 19751 5000 1 8 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.454 0.200 19751 5001 1 8 . 1 1 107 107 ILE C C 107 177.324 177.324 177.717 -0.393 19751 5002 1 8 . 1 1 107 107 ILE CA C 107 63.835 63.835 65.028 -1.193 19751 5003 1 8 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.510 0.097 19751 5004 1 8 . 1 1 107 107 ILE H H 107 7.582 7.582 7.430 0.152 19751 5005 1 8 . 1 1 108 108 ALA N N 108 122.550 122.550 120.702 1.848 19751 5006 1 8 . 1 1 108 108 ALA HA H 108 3.801 3.801 4.039 -0.238 19751 5007 1 8 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.513 0.565 19751 5008 1 8 . 1 1 108 108 ALA CB C 108 17.937 17.937 18.082 -0.145 19751 5009 1 8 . 1 1 108 108 ALA H H 108 8.551 8.551 7.733 0.818 19751 5010 1 8 . 1 1 109 109 THR N N 109 113.975 113.975 112.753 1.222 19751 5011 1 8 . 1 1 109 109 THR HA H 109 3.806 3.806 4.083 -0.278 19751 5012 1 8 . 1 1 109 109 THR C C 109 176.632 176.632 176.218 0.414 19751 5013 1 8 . 1 1 109 109 THR CA C 109 67.362 67.362 66.401 0.961 19751 5014 1 8 . 1 1 109 109 THR CB C 109 68.554 68.554 68.530 0.024 19751 5015 1 8 . 1 1 109 109 THR H H 109 8.197 8.197 7.376 0.821 19751 5016 1 8 . 1 1 110 110 LYS N N 110 123.603 123.603 121.163 2.440 19751 5017 1 8 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.226 -0.149 19751 5018 1 8 . 1 1 110 110 LYS C C 110 179.640 179.640 177.720 1.920 19751 5019 1 8 . 1 1 110 110 LYS CA C 110 59.365 59.365 58.533 0.832 19751 5020 1 8 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.428 -0.357 19751 5021 1 8 . 1 1 110 110 LYS H H 110 7.656 7.656 7.612 0.044 19751 5022 1 8 . 1 1 111 111 LEU N N 111 120.492 120.492 119.136 1.356 19751 5023 1 8 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.228 -0.371 19751 5024 1 8 . 1 1 111 111 LEU C C 111 179.289 179.289 178.814 0.475 19751 5025 1 8 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.703 0.412 19751 5026 1 8 . 1 1 111 111 LEU CB C 111 41.115 41.115 42.040 -0.925 19751 5027 1 8 . 1 1 111 111 LEU H H 111 8.441 8.441 7.506 0.935 19751 5028 1 8 . 1 1 112 112 LYS N N 112 120.305 120.305 118.588 1.717 19751 5029 1 8 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.202 0.239 19751 5030 1 8 . 1 1 112 112 LYS C C 112 181.574 181.574 178.743 2.831 19751 5031 1 8 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.925 0.686 19751 5032 1 8 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.903 0.390 19751 5033 1 8 . 1 1 112 112 LYS H H 112 8.452 8.452 7.952 0.500 19751 5034 1 8 . 1 1 113 113 SER N N 113 116.992 116.992 113.884 3.108 19751 5035 1 8 . 1 1 113 113 SER HA H 113 4.389 4.389 4.254 0.135 19751 5036 1 8 . 1 1 113 113 SER C C 113 175.200 175.200 175.890 -0.690 19751 5037 1 8 . 1 1 113 113 SER CA C 113 61.260 61.260 60.526 0.734 19751 5038 1 8 . 1 1 113 113 SER CB C 113 62.863 62.863 63.002 -0.139 19751 5039 1 8 . 1 1 113 113 SER H H 113 7.995 7.995 7.875 0.120 19751 5040 1 8 . 1 1 114 114 GLU N N 114 120.677 120.677 118.299 2.378 19751 5041 1 8 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.375 0.056 19751 5042 1 8 . 1 1 114 114 GLU C C 114 176.506 176.506 176.865 -0.359 19751 5043 1 8 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.580 -0.268 19751 5044 1 8 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.939 -1.542 19751 5045 1 8 . 1 1 114 114 GLU H H 114 7.577 7.577 7.941 -0.364 19751 5046 1 8 . 1 1 115 115 GLY N N 115 107.383 107.383 107.754 -0.371 19751 5047 1 8 . 1 1 115 115 GLY C C 115 174.019 174.019 173.546 0.473 19751 5048 1 8 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.773 0.725 19751 5049 1 8 . 1 1 115 115 GLY H H 115 7.947 7.947 7.706 0.241 19751 5050 1 8 . 1 1 116 116 VAL N N 116 121.389 121.389 120.235 1.154 19751 5051 1 8 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.180 -0.048 19751 5052 1 8 . 1 1 116 116 VAL C C 116 175.092 175.092 174.643 0.449 19751 5053 1 8 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.379 0.698 19751 5054 1 8 . 1 1 116 116 VAL CB C 116 33.043 33.043 31.807 1.236 19751 5055 1 8 . 1 1 116 116 VAL H H 116 7.704 7.704 7.419 0.285 19751 5056 1 8 . 1 1 117 117 ASN N N 117 125.670 125.670 127.207 -1.537 19751 5057 1 8 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.782 0.012 19751 5058 1 8 . 1 1 117 117 ASN C C 117 173.847 173.847 174.230 -0.383 19751 5059 1 8 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.312 -0.108 19751 5060 1 8 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.839 -0.838 19751 5061 1 8 . 1 1 117 117 ASN H H 117 9.161 9.161 8.374 0.787 19751 5062 1 8 . 1 1 118 118 VAL N N 118 121.648 121.648 118.968 2.680 19751 5063 1 8 . 1 1 118 118 VAL HA H 118 5.273 5.273 4.957 0.316 19751 5064 1 8 . 1 1 118 118 VAL C C 118 173.553 173.553 173.676 -0.123 19751 5065 1 8 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.185 -0.680 19751 5066 1 8 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.172 -0.083 19751 5067 1 8 . 1 1 118 118 VAL H H 118 7.811 7.811 7.761 0.050 19751 5068 1 8 . 1 1 119 119 GLN N N 119 124.298 124.298 119.187 5.111 19751 5069 1 8 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.680 -0.027 19751 5070 1 8 . 1 1 119 119 GLN C C 119 174.263 174.263 174.343 -0.080 19751 5071 1 8 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.154 0.089 19751 5072 1 8 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.314 0.212 19751 5073 1 8 . 1 1 119 119 GLN H H 119 8.746 8.746 8.085 0.661 19751 5074 1 8 . 1 1 120 120 ILE N N 120 122.997 122.997 127.439 -4.442 19751 5075 1 8 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.143 0.305 19751 5076 1 8 . 1 1 120 120 ILE C C 120 175.616 175.616 175.716 -0.100 19751 5077 1 8 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.469 0.488 19751 5078 1 8 . 1 1 120 120 ILE CB C 120 39.930 39.930 35.877 4.053 19751 5079 1 8 . 1 1 120 120 ILE H H 120 8.670 8.670 8.572 0.098 19751 5080 1 8 . 1 1 121 121 GLU N N 121 128.460 128.460 127.719 0.741 19751 5081 1 8 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.499 -0.004 19751 5082 1 8 . 1 1 121 121 GLU C C 121 175.490 175.490 174.918 0.572 19751 5083 1 8 . 1 1 121 121 GLU CA C 121 55.649 55.649 55.075 0.574 19751 5084 1 8 . 1 1 121 121 GLU CB C 121 31.190 31.190 31.570 -0.380 19751 5085 1 8 . 1 1 121 121 GLU H H 121 8.641 8.641 8.067 0.574 19751 5086 1 8 . 1 1 122 122 LEU N N 122 126.756 126.756 123.664 3.092 19751 5087 1 8 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.662 -0.083 19751 5088 1 8 . 1 1 122 122 LEU C C 122 177.291 177.291 176.994 0.297 19751 5089 1 8 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.594 0.918 19751 5090 1 8 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.483 -2.061 19751 5091 1 8 . 1 1 122 122 LEU H H 122 8.642 8.642 8.390 0.252 19751 5092 1 8 . 1 1 123 123 SER N N 123 117.273 117.273 116.206 1.067 19751 5093 1 8 . 1 1 123 123 SER HA H 123 4.430 4.430 4.634 -0.204 19751 5094 1 8 . 1 1 123 123 SER C C 123 175.066 175.066 174.668 0.398 19751 5095 1 8 . 1 1 123 123 SER CA C 123 58.499 58.499 58.319 0.180 19751 5096 1 8 . 1 1 123 123 SER CB C 123 63.946 63.946 63.609 0.336 19751 5097 1 8 . 1 1 123 123 SER H H 123 8.496 8.496 8.553 -0.057 19751 5098 1 8 . 1 1 124 124 GLY N N 124 111.280 111.280 109.189 2.091 19751 5099 1 8 . 1 1 124 124 GLY C C 124 174.099 174.099 174.059 0.040 19751 5100 1 8 . 1 1 124 124 GLY CA C 124 45.379 45.379 44.957 0.422 19751 5101 1 8 . 1 1 124 124 GLY H H 124 8.566 8.566 8.255 0.311 19751 5102 1 8 . 1 1 125 125 ALA N N 125 123.586 123.586 122.035 1.551 19751 5103 1 8 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.872 -0.565 19751 5104 1 8 . 1 1 125 125 ALA C C 125 177.915 177.915 178.015 -0.100 19751 5105 1 8 . 1 1 125 125 ALA CA C 125 52.617 52.617 52.335 0.282 19751 5106 1 8 . 1 1 125 125 ALA CB C 125 19.308 19.308 19.164 0.144 19751 5107 1 8 . 1 1 125 125 ALA H H 125 8.158 8.158 8.387 -0.229 19751 5108 1 8 . 1 1 126 126 GLU N N 126 120.076 120.076 119.535 0.541 19751 5109 1 8 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.903 -0.552 19751 5110 1 8 . 1 1 126 126 GLU C C 126 176.544 176.544 175.694 0.850 19751 5111 1 8 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.459 1.424 19751 5112 1 8 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.408 0.202 19751 5113 1 8 . 1 1 126 126 GLU H H 126 8.524 8.524 8.409 0.115 19751 5114 1 8 . 1 1 127 127 GLN N N 127 121.453 121.453 118.523 2.930 19751 5115 1 8 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.782 -0.475 19751 5116 1 8 . 1 1 127 127 GLN C C 127 175.691 175.691 174.320 1.371 19751 5117 1 8 . 1 1 127 127 GLN CA C 127 55.580 55.580 54.752 0.828 19751 5118 1 8 . 1 1 127 127 GLN CB C 127 29.703 29.703 31.572 -1.869 19751 5119 1 8 . 1 1 127 127 GLN H H 127 8.356 8.356 8.603 -0.247 19751 5120 1 8 . 1 1 128 128 GLN N N 128 122.570 122.570 119.269 3.301 19751 5121 1 8 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.692 -0.107 19751 5122 1 8 . 1 1 128 128 GLN CA C 128 53.744 53.744 54.324 -0.580 19751 5123 1 8 . 1 1 128 128 GLN CB C 128 28.864 28.864 30.167 -1.303 19751 5124 1 8 . 1 1 128 128 GLN H H 128 8.348 8.348 8.533 -0.185 19751 5125 1 8 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.544 -0.143 19751 5126 1 8 . 1 1 129 129 PRO C C 129 175.988 175.988 176.939 -0.951 19751 5127 1 8 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.644 0.805 19751 5128 1 8 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.208 -0.251 19751 5129 1 9 . 1 1 2 2 GLU N N 2 122.196 122.196 122.296 -0.100 19751 5130 1 9 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.807 -0.572 19751 5131 1 9 . 1 1 2 2 GLU C C 2 175.712 175.712 175.384 0.328 19751 5132 1 9 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.162 0.470 19751 5133 1 9 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.860 -0.889 19751 5134 1 9 . 1 1 2 2 GLU H H 2 8.617 8.617 8.636 -0.019 19751 5135 1 9 . 1 1 3 3 SER N N 3 116.623 116.623 116.795 -0.172 19751 5136 1 9 . 1 1 3 3 SER HA H 3 4.597 4.597 4.683 -0.086 19751 5137 1 9 . 1 1 3 3 SER C C 3 174.294 174.294 173.127 1.167 19751 5138 1 9 . 1 1 3 3 SER CA C 3 58.386 58.386 58.067 0.319 19751 5139 1 9 . 1 1 3 3 SER CB C 3 64.039 64.039 63.900 0.139 19751 5140 1 9 . 1 1 3 3 SER H H 3 8.305 8.305 8.418 -0.113 19751 5141 1 9 . 1 1 4 4 VAL N N 4 121.759 121.759 120.938 0.821 19751 5142 1 9 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.812 -0.503 19751 5143 1 9 . 1 1 4 4 VAL C C 4 176.177 176.177 173.985 2.192 19751 5144 1 9 . 1 1 4 4 VAL CA C 4 61.709 61.709 61.385 0.324 19751 5145 1 9 . 1 1 4 4 VAL CB C 4 33.355 33.355 34.455 -1.100 19751 5146 1 9 . 1 1 4 4 VAL H H 4 8.303 8.303 8.783 -0.480 19751 5147 1 9 . 1 1 5 5 THR N N 5 118.335 118.335 118.419 -0.084 19751 5148 1 9 . 1 1 5 5 THR HA H 5 4.592 4.592 4.891 -0.299 19751 5149 1 9 . 1 1 5 5 THR C C 5 173.579 173.579 173.253 0.326 19751 5150 1 9 . 1 1 5 5 THR CA C 5 62.022 62.022 61.657 0.365 19751 5151 1 9 . 1 1 5 5 THR CB C 5 70.047 70.047 70.934 -0.887 19751 5152 1 9 . 1 1 5 5 THR H H 5 8.319 8.319 8.279 0.040 19751 5153 1 9 . 1 1 6 6 MET N N 6 123.858 123.858 121.997 1.861 19751 5154 1 9 . 1 1 6 6 MET CA C 6 57.260 57.260 54.535 2.725 19751 5155 1 9 . 1 1 6 6 MET CB C 6 33.780 33.780 34.219 -0.439 19751 5156 1 9 . 1 1 6 6 MET H H 6 8.035 8.035 8.434 -0.399 19751 5157 1 9 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.744 -0.247 19751 5158 1 9 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.809 0.341 19751 5159 1 9 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.587 -1.323 19751 5160 1 9 . 1 1 8 8 GLY N N 8 114.130 114.130 110.885 3.245 19751 5161 1 9 . 1 1 8 8 GLY CA C 8 45.613 45.613 45.191 0.422 19751 5162 1 9 . 1 1 8 8 GLY H H 8 8.386 8.386 8.342 0.044 19751 5163 1 9 . 1 1 9 9 LYS N N 9 120.803 120.803 121.940 -1.137 19751 5164 1 9 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.522 -0.178 19751 5165 1 9 . 1 1 9 9 LYS H H 9 8.021 8.021 8.293 -0.272 19751 5166 1 9 . 1 1 10 10 GLN N N 10 120.522 120.522 122.142 -1.620 19751 5167 1 9 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.442 0.025 19751 5168 1 9 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.469 -0.188 19751 5169 1 9 . 1 1 10 10 GLN CB C 10 30.410 30.410 28.821 1.589 19751 5170 1 9 . 1 1 10 10 GLN H H 10 8.246 8.246 7.950 0.296 19751 5171 1 9 . 1 1 11 11 TYR N N 11 121.213 121.213 121.396 -0.183 19751 5172 1 9 . 1 1 11 11 TYR HA H 11 4.299 4.299 5.253 -0.954 19751 5173 1 9 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.999 -1.050 19751 5174 1 9 . 1 1 11 11 TYR CB C 11 43.274 43.274 41.663 1.611 19751 5175 1 9 . 1 1 11 11 TYR H H 11 8.873 8.873 9.107 -0.234 19751 5176 1 9 . 1 1 12 12 SER N N 12 117.406 117.406 116.599 0.807 19751 5177 1 9 . 1 1 12 12 SER HA H 12 4.715 4.715 4.763 -0.048 19751 5178 1 9 . 1 1 12 12 SER CA C 12 57.374 57.374 57.828 -0.454 19751 5179 1 9 . 1 1 12 12 SER CB C 12 63.946 63.946 64.754 -0.808 19751 5180 1 9 . 1 1 12 12 SER H H 12 9.047 9.047 8.598 0.449 19751 5181 1 9 . 1 1 13 13 THR N N 13 112.091 112.091 117.101 -5.010 19751 5182 1 9 . 1 1 13 13 THR HA H 13 4.929 4.929 4.886 0.043 19751 5183 1 9 . 1 1 13 13 THR CA C 13 60.716 60.716 62.209 -1.493 19751 5184 1 9 . 1 1 13 13 THR CB C 13 71.808 71.808 69.156 2.652 19751 5185 1 9 . 1 1 13 13 THR H H 13 8.235 8.235 8.290 -0.055 19751 5186 1 9 . 1 1 14 14 ILE N N 14 120.891 120.891 122.948 -2.057 19751 5187 1 9 . 1 1 14 14 ILE H H 14 9.108 9.108 7.740 1.368 19751 5188 1 9 . 1 1 15 15 GLU N N 15 127.598 127.598 123.062 4.536 19751 5189 1 9 . 1 1 15 15 GLU H H 15 8.300 8.300 8.461 -0.161 19751 5190 1 9 . 1 1 16 16 VAL N N 16 126.224 126.224 117.845 8.379 19751 5191 1 9 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.385 -0.101 19751 5192 1 9 . 1 1 16 16 VAL CA C 16 61.835 61.835 60.544 1.291 19751 5193 1 9 . 1 1 16 16 VAL CB C 16 34.896 34.896 34.733 0.163 19751 5194 1 9 . 1 1 16 16 VAL H H 16 9.320 9.320 7.823 1.497 19751 5195 1 9 . 1 1 17 17 ASN N N 17 123.394 123.394 121.200 2.194 19751 5196 1 9 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.518 0.646 19751 5197 1 9 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.827 -0.278 19751 5198 1 9 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.551 -0.336 19751 5199 1 9 . 1 1 17 17 ASN H H 17 9.310 9.310 8.732 0.578 19751 5200 1 9 . 1 1 18 18 GLY H H 18 9.024 9.024 8.310 0.714 19751 5201 1 9 . 1 1 19 19 GLN N N 19 119.994 119.994 119.523 0.471 19751 5202 1 9 . 1 1 19 19 GLN H H 19 7.990 7.990 8.094 -0.104 19751 5203 1 9 . 1 1 20 20 THR N N 20 117.472 117.472 116.124 1.348 19751 5204 1 9 . 1 1 20 20 THR HA H 20 4.384 4.384 4.649 -0.265 19751 5205 1 9 . 1 1 20 20 THR CA C 20 63.334 63.334 60.790 2.544 19751 5206 1 9 . 1 1 20 20 THR CB C 20 69.401 69.401 70.283 -0.882 19751 5207 1 9 . 1 1 20 20 THR H H 20 8.401 8.401 8.340 0.061 19751 5208 1 9 . 1 1 21 21 TYR N N 21 126.847 126.847 120.697 6.150 19751 5209 1 9 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.986 -0.824 19751 5210 1 9 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.305 0.182 19751 5211 1 9 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.658 3.672 19751 5212 1 9 . 1 1 21 21 TYR H H 21 9.367 9.367 8.333 1.034 19751 5213 1 9 . 1 1 22 22 LEU N N 22 118.537 118.537 124.622 -6.085 19751 5214 1 9 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.619 -0.427 19751 5215 1 9 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.376 2.546 19751 5216 1 9 . 1 1 22 22 LEU CB C 22 43.212 43.212 44.116 -0.904 19751 5217 1 9 . 1 1 22 22 LEU H H 22 9.060 9.060 8.477 0.583 19751 5218 1 9 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.582 -0.191 19751 5219 1 9 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.808 0.526 19751 5220 1 9 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.352 -0.212 19751 5221 1 9 . 1 1 25 25 ASP N N 25 121.554 121.554 123.329 -1.775 19751 5222 1 9 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.837 -0.245 19751 5223 1 9 . 1 1 25 25 ASP CA C 25 54.308 54.308 54.087 0.222 19751 5224 1 9 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.113 -0.026 19751 5225 1 9 . 1 1 25 25 ASP H H 25 8.324 8.324 8.527 -0.203 19751 5226 1 9 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.695 0.044 19751 5227 1 9 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.662 -1.006 19751 5228 1 9 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.653 -0.521 19751 5229 1 9 . 1 1 27 27 GLY N N 27 109.206 109.206 110.599 -1.393 19751 5230 1 9 . 1 1 27 27 GLY CA C 27 45.414 45.414 45.105 0.309 19751 5231 1 9 . 1 1 27 27 GLY H H 27 8.494 8.494 8.600 -0.106 19751 5232 1 9 . 1 1 28 28 SER N N 28 116.238 116.238 116.538 -0.300 19751 5233 1 9 . 1 1 28 28 SER HA H 28 4.384 4.384 4.508 -0.124 19751 5234 1 9 . 1 1 28 28 SER CA C 28 60.226 60.226 58.386 1.840 19751 5235 1 9 . 1 1 28 28 SER CB C 28 63.818 63.818 63.954 -0.136 19751 5236 1 9 . 1 1 28 28 SER H H 28 8.372 8.372 8.257 0.115 19751 5237 1 9 . 1 1 29 29 LYS N N 29 121.905 121.905 122.983 -1.078 19751 5238 1 9 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.539 -0.208 19751 5239 1 9 . 1 1 29 29 LYS CA C 29 56.353 56.353 56.484 -0.131 19751 5240 1 9 . 1 1 29 29 LYS CB C 29 33.347 33.347 32.649 0.698 19751 5241 1 9 . 1 1 29 29 LYS H H 29 8.027 8.027 8.278 -0.251 19751 5242 1 9 . 1 1 30 30 LYS N N 30 122.663 122.663 120.890 1.773 19751 5243 1 9 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.526 -0.232 19751 5244 1 9 . 1 1 30 30 LYS CA C 30 56.214 56.214 56.099 0.115 19751 5245 1 9 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.291 -0.120 19751 5246 1 9 . 1 1 30 30 LYS H H 30 8.223 8.223 8.416 -0.193 19751 5247 1 9 . 1 1 31 31 ARG N N 31 123.469 123.469 121.755 1.714 19751 5248 1 9 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.409 -0.054 19751 5249 1 9 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.579 0.716 19751 5250 1 9 . 1 1 31 31 ARG CB C 31 31.854 31.854 30.227 1.627 19751 5251 1 9 . 1 1 31 31 ARG H H 31 8.404 8.404 8.597 -0.193 19751 5252 1 9 . 1 1 32 32 VAL N N 32 122.456 122.456 119.262 3.194 19751 5253 1 9 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.651 -0.408 19751 5254 1 9 . 1 1 32 32 VAL CA C 32 62.316 62.316 61.292 1.024 19751 5255 1 9 . 1 1 32 32 VAL CB C 32 32.863 32.863 31.343 1.520 19751 5256 1 9 . 1 1 32 32 VAL H H 32 8.214 8.214 7.962 0.252 19751 5257 1 9 . 1 1 33 33 ALA N N 33 127.685 127.685 130.582 -2.897 19751 5258 1 9 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.490 -0.188 19751 5259 1 9 . 1 1 33 33 ALA CA C 33 52.617 52.617 52.239 0.378 19751 5260 1 9 . 1 1 33 33 ALA CB C 33 19.308 19.308 19.585 -0.277 19751 5261 1 9 . 1 1 33 33 ALA H H 33 8.374 8.374 8.372 0.002 19751 5262 1 9 . 1 1 34 34 ARG N N 34 119.922 119.922 122.249 -2.327 19751 5263 1 9 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.862 -0.539 19751 5264 1 9 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.593 1.228 19751 5265 1 9 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.147 -0.987 19751 5266 1 9 . 1 1 34 34 ARG H H 34 8.652 8.652 8.875 -0.223 19751 5267 1 9 . 1 1 35 35 SER N N 35 116.881 116.881 117.928 -1.047 19751 5268 1 9 . 1 1 35 35 SER HA H 35 4.543 4.543 4.552 -0.009 19751 5269 1 9 . 1 1 35 35 SER CA C 35 58.440 58.440 57.916 0.524 19751 5270 1 9 . 1 1 35 35 SER CB C 35 64.094 64.094 64.660 -0.566 19751 5271 1 9 . 1 1 35 35 SER H H 35 8.359 8.359 8.665 -0.306 19751 5272 1 9 . 1 1 36 36 LEU N N 36 124.595 124.595 124.417 0.178 19751 5273 1 9 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.891 -0.518 19751 5274 1 9 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.182 0.412 19751 5275 1 9 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.562 -1.284 19751 5276 1 9 . 1 1 36 36 LEU H H 36 8.546 8.546 8.892 -0.346 19751 5277 1 9 . 1 1 37 37 ASP N N 37 119.422 119.422 124.612 -5.190 19751 5278 1 9 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.062 -0.470 19751 5279 1 9 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.759 0.549 19751 5280 1 9 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.320 -1.138 19751 5281 1 9 . 1 1 37 37 ASP H H 37 8.186 8.186 8.679 -0.493 19751 5282 1 9 . 1 1 38 38 SER N N 38 116.413 116.413 116.640 -0.227 19751 5283 1 9 . 1 1 38 38 SER HA H 38 4.450 4.450 4.914 -0.464 19751 5284 1 9 . 1 1 38 38 SER CA C 38 58.499 58.499 58.198 0.301 19751 5285 1 9 . 1 1 38 38 SER CB C 38 63.818 63.818 64.148 -0.330 19751 5286 1 9 . 1 1 38 38 SER H H 38 8.177 8.177 8.583 -0.406 19751 5287 1 9 . 1 1 39 39 LYS N N 39 123.095 123.095 124.884 -1.789 19751 5288 1 9 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.888 -0.551 19751 5289 1 9 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.876 0.803 19751 5290 1 9 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.655 -1.423 19751 5291 1 9 . 1 1 39 39 LYS H H 39 8.379 8.379 8.281 0.098 19751 5292 1 9 . 1 1 40 40 VAL N N 40 122.475 122.475 123.231 -0.756 19751 5293 1 9 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.284 0.104 19751 5294 1 9 . 1 1 40 40 VAL CA C 40 60.161 60.161 60.795 -0.634 19751 5295 1 9 . 1 1 40 40 VAL CB C 40 32.615 32.615 32.838 -0.223 19751 5296 1 9 . 1 1 40 40 VAL H H 40 8.069 8.069 8.442 -0.373 19751 5297 1 9 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.571 -0.150 19751 5298 1 9 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.040 -0.282 19751 5299 1 9 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.344 1.963 19751 5300 1 9 . 1 1 42 42 GLN N N 42 121.230 121.230 122.016 -0.786 19751 5301 1 9 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.385 -0.106 19751 5302 1 9 . 1 1 42 42 GLN CA C 42 56.028 56.028 56.088 -0.060 19751 5303 1 9 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.331 -0.612 19751 5304 1 9 . 1 1 42 42 GLN H H 42 8.482 8.482 8.447 0.035 19751 5305 1 9 . 1 1 43 43 GLN N N 43 121.831 121.831 125.250 -3.419 19751 5306 1 9 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.629 -0.240 19751 5307 1 9 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.956 -0.032 19751 5308 1 9 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.511 -0.982 19751 5309 1 9 . 1 1 43 43 GLN H H 43 8.506 8.506 8.789 -0.283 19751 5310 1 9 . 1 1 44 44 THR N N 44 116.251 116.251 120.165 -3.914 19751 5311 1 9 . 1 1 44 44 THR HA H 44 4.302 4.302 4.557 -0.255 19751 5312 1 9 . 1 1 44 44 THR CA C 44 61.922 61.922 61.939 -0.017 19751 5313 1 9 . 1 1 44 44 THR CB C 44 69.811 69.811 69.518 0.293 19751 5314 1 9 . 1 1 44 44 THR H H 44 8.231 8.231 8.645 -0.414 19751 5315 1 9 . 1 1 45 45 LEU N N 45 125.046 125.046 126.689 -1.643 19751 5316 1 9 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.628 -0.130 19751 5317 1 9 . 1 1 45 45 LEU CA C 45 55.107 55.107 55.899 -0.792 19751 5318 1 9 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.265 -0.453 19751 5319 1 9 . 1 1 45 45 LEU H H 45 8.257 8.257 8.486 -0.229 19751 5320 1 9 . 1 1 46 46 ARG N N 46 120.522 120.522 124.220 -3.698 19751 5321 1 9 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.549 -0.316 19751 5322 1 9 . 1 1 46 46 ARG CA C 46 56.464 56.464 56.085 0.379 19751 5323 1 9 . 1 1 46 46 ARG CB C 46 29.971 29.971 31.882 -1.911 19751 5324 1 9 . 1 1 46 46 ARG H H 46 8.007 8.007 8.477 -0.470 19751 5325 1 9 . 1 1 47 47 ARG N N 47 121.010 121.010 121.877 -0.867 19751 5326 1 9 . 1 1 47 47 ARG H H 47 8.324 8.324 8.987 -0.663 19751 5327 1 9 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.923 0.417 19751 5328 1 9 . 1 1 49 49 ASP N N 49 120.513 120.513 123.589 -3.076 19751 5329 1 9 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.630 -0.011 19751 5330 1 9 . 1 1 49 49 ASP CA C 49 54.330 54.330 54.117 0.213 19751 5331 1 9 . 1 1 49 49 ASP CB C 49 41.163 41.163 41.602 -0.439 19751 5332 1 9 . 1 1 49 49 ASP H H 49 8.225 8.225 8.254 -0.029 19751 5333 1 9 . 1 1 50 50 VAL N N 50 119.718 119.718 119.879 -0.161 19751 5334 1 9 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.601 -0.529 19751 5335 1 9 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.730 0.672 19751 5336 1 9 . 1 1 50 50 VAL CB C 50 32.794 32.794 32.868 -0.074 19751 5337 1 9 . 1 1 50 50 VAL H H 50 8.024 8.024 8.229 -0.205 19751 5338 1 9 . 1 1 51 51 LEU N N 51 125.249 125.249 128.729 -3.480 19751 5339 1 9 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.539 -0.193 19751 5340 1 9 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.474 -0.104 19751 5341 1 9 . 1 1 51 51 LEU CB C 51 42.379 42.379 42.910 -0.530 19751 5342 1 9 . 1 1 51 51 LEU H H 51 8.305 8.305 8.484 -0.179 19751 5343 1 9 . 1 1 52 52 MET HA H 52 4.458 4.458 4.795 -0.337 19751 5344 1 9 . 1 1 52 52 MET CA C 52 55.417 55.417 55.748 -0.331 19751 5345 1 9 . 1 1 52 52 MET CB C 52 32.264 32.264 33.250 -0.986 19751 5346 1 9 . 1 1 53 53 GLN N N 53 121.447 121.447 123.811 -2.364 19751 5347 1 9 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.496 -0.189 19751 5348 1 9 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.823 0.391 19751 5349 1 9 . 1 1 53 53 GLN CB C 53 29.697 29.697 29.551 0.146 19751 5350 1 9 . 1 1 53 53 GLN H H 53 8.373 8.373 8.037 0.336 19751 5351 1 9 . 1 1 54 54 GLY N N 54 110.484 110.484 107.381 3.103 19751 5352 1 9 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.402 -0.152 19751 5353 1 9 . 1 1 54 54 GLY H H 54 8.456 8.456 9.320 -0.864 19751 5354 1 9 . 1 1 55 55 ALA N N 55 123.673 123.673 122.258 1.415 19751 5355 1 9 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.434 -0.127 19751 5356 1 9 . 1 1 55 55 ALA C C 55 177.397 177.397 176.129 1.268 19751 5357 1 9 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.425 0.192 19751 5358 1 9 . 1 1 55 55 ALA CB C 55 19.308 19.308 19.954 -0.646 19751 5359 1 9 . 1 1 55 55 ALA H H 55 8.113 8.113 8.038 0.075 19751 5360 1 9 . 1 1 56 56 ALA N N 56 123.295 123.295 125.619 -2.324 19751 5361 1 9 . 1 1 56 56 ALA HA H 56 4.303 4.303 4.698 -0.395 19751 5362 1 9 . 1 1 56 56 ALA C C 56 177.446 177.446 175.819 1.627 19751 5363 1 9 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.669 -0.236 19751 5364 1 9 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.090 -0.782 19751 5365 1 9 . 1 1 56 56 ALA H H 56 8.297 8.297 7.997 0.300 19751 5366 1 9 . 1 1 57 57 SER N N 57 116.534 116.534 117.591 -1.057 19751 5367 1 9 . 1 1 57 57 SER HA H 57 4.737 4.737 4.689 0.048 19751 5368 1 9 . 1 1 57 57 SER CA C 57 56.332 56.332 57.966 -1.634 19751 5369 1 9 . 1 1 57 57 SER CB C 57 63.567 63.567 63.450 0.117 19751 5370 1 9 . 1 1 57 57 SER H H 57 8.258 8.258 8.618 -0.360 19751 5371 1 9 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.864 -0.462 19751 5372 1 9 . 1 1 58 58 PRO C C 58 176.874 176.874 175.588 1.286 19751 5373 1 9 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.287 0.070 19751 5374 1 9 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.930 -0.895 19751 5375 1 9 . 1 1 59 59 GLU N N 59 120.545 120.545 120.711 -0.166 19751 5376 1 9 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.780 -0.544 19751 5377 1 9 . 1 1 59 59 GLU C C 59 176.383 176.383 174.440 1.943 19751 5378 1 9 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.654 0.921 19751 5379 1 9 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.421 -1.318 19751 5380 1 9 . 1 1 59 59 GLU H H 59 8.556 8.556 8.690 -0.134 19751 5381 1 9 . 1 1 60 60 LEU N N 60 122.946 122.946 122.521 0.425 19751 5382 1 9 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.747 -0.303 19751 5383 1 9 . 1 1 60 60 LEU C C 60 177.201 177.201 174.671 2.530 19751 5384 1 9 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.744 0.376 19751 5385 1 9 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.291 -1.003 19751 5386 1 9 . 1 1 60 60 LEU H H 60 8.205 8.205 8.351 -0.146 19751 5387 1 9 . 1 1 61 61 THR N N 61 115.168 115.168 116.875 -1.707 19751 5388 1 9 . 1 1 61 61 THR HA H 61 4.380 4.380 4.567 -0.187 19751 5389 1 9 . 1 1 61 61 THR C C 61 174.201 174.201 172.122 2.079 19751 5390 1 9 . 1 1 61 61 THR CA C 61 61.792 61.792 62.219 -0.428 19751 5391 1 9 . 1 1 61 61 THR CB C 61 69.770 69.770 70.319 -0.549 19751 5392 1 9 . 1 1 61 61 THR H H 61 8.149 8.149 8.224 -0.075 19751 5393 1 9 . 1 1 62 62 VAL N N 62 121.650 121.650 125.061 -3.411 19751 5394 1 9 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.463 -0.144 19751 5395 1 9 . 1 1 62 62 VAL C C 62 175.921 175.921 173.557 2.364 19751 5396 1 9 . 1 1 62 62 VAL CA C 62 61.709 61.709 60.789 0.920 19751 5397 1 9 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.804 -1.450 19751 5398 1 9 . 1 1 62 62 VAL H H 62 8.091 8.091 8.031 0.060 19751 5399 1 9 . 1 1 63 63 SER N N 63 120.076 120.076 121.085 -1.009 19751 5400 1 9 . 1 1 63 63 SER HA H 63 4.542 4.542 4.743 -0.201 19751 5401 1 9 . 1 1 63 63 SER C C 63 174.254 174.254 173.055 1.199 19751 5402 1 9 . 1 1 63 63 SER CA C 63 58.375 58.375 57.408 0.966 19751 5403 1 9 . 1 1 63 63 SER CB C 63 64.196 64.196 65.945 -1.749 19751 5404 1 9 . 1 1 63 63 SER H H 63 8.524 8.524 8.255 0.269 19751 5405 1 9 . 1 1 64 64 GLY N N 64 109.912 109.912 109.190 0.722 19751 5406 1 9 . 1 1 64 64 GLY CA C 64 45.384 45.384 46.044 -0.660 19751 5407 1 9 . 1 1 64 64 GLY H H 64 8.255 8.255 8.491 -0.236 19751 5408 1 9 . 1 1 65 65 THR N N 65 114.200 114.200 116.113 -1.913 19751 5409 1 9 . 1 1 65 65 THR HA H 65 4.929 4.929 5.177 -0.248 19751 5410 1 9 . 1 1 65 65 THR CA C 65 60.826 60.826 61.487 -0.661 19751 5411 1 9 . 1 1 65 65 THR CB C 65 71.805 71.805 72.548 -0.743 19751 5412 1 9 . 1 1 65 65 THR H H 65 8.468 8.468 7.942 0.526 19751 5413 1 9 . 1 1 66 66 LEU N N 66 122.673 122.673 122.734 -0.061 19751 5414 1 9 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.701 0.220 19751 5415 1 9 . 1 1 66 66 LEU C C 66 174.364 174.364 174.346 0.018 19751 5416 1 9 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.414 -1.004 19751 5417 1 9 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.360 -1.910 19751 5418 1 9 . 1 1 66 66 LEU H H 66 9.054 9.054 8.871 0.183 19751 5419 1 9 . 1 1 67 67 LEU N N 67 124.219 124.219 126.495 -2.276 19751 5420 1 9 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.894 0.314 19751 5421 1 9 . 1 1 67 67 LEU C C 67 177.107 177.107 175.589 1.518 19751 5422 1 9 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.059 -0.286 19751 5423 1 9 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.744 0.462 19751 5424 1 9 . 1 1 67 67 LEU H H 67 8.927 8.927 9.014 -0.087 19751 5425 1 9 . 1 1 68 68 VAL N N 68 121.113 121.113 125.722 -4.609 19751 5426 1 9 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.353 0.503 19751 5427 1 9 . 1 1 68 68 VAL C C 68 174.079 174.079 174.210 -0.131 19751 5428 1 9 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.631 0.227 19751 5429 1 9 . 1 1 68 68 VAL CB C 68 35.015 35.015 35.122 -0.107 19751 5430 1 9 . 1 1 68 68 VAL H H 68 9.345 9.345 8.923 0.422 19751 5431 1 9 . 1 1 69 69 GLU N N 69 127.682 127.682 131.050 -3.368 19751 5432 1 9 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.720 0.179 19751 5433 1 9 . 1 1 69 69 GLU C C 69 173.485 173.485 174.973 -1.488 19751 5434 1 9 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.259 -0.912 19751 5435 1 9 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.853 0.118 19751 5436 1 9 . 1 1 69 69 GLU H H 69 8.110 8.110 8.695 -0.585 19751 5437 1 9 . 1 1 70 70 ALA N N 70 130.042 130.042 128.120 1.922 19751 5438 1 9 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.435 0.129 19751 5439 1 9 . 1 1 70 70 ALA C C 70 174.853 174.853 174.900 -0.047 19751 5440 1 9 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.454 0.250 19751 5441 1 9 . 1 1 70 70 ALA CB C 70 21.431 21.431 20.566 0.865 19751 5442 1 9 . 1 1 70 70 ALA H H 70 7.991 7.991 7.696 0.295 19751 5443 1 9 . 1 1 71 71 ASP N N 71 117.021 117.021 118.387 -1.366 19751 5444 1 9 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.699 -0.119 19751 5445 1 9 . 1 1 71 71 ASP C C 71 175.160 175.160 177.091 -1.931 19751 5446 1 9 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.694 -0.651 19751 5447 1 9 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.309 -1.387 19751 5448 1 9 . 1 1 71 71 ASP H H 71 8.025 8.025 8.339 -0.314 19751 5449 1 9 . 1 1 72 72 ASP N N 72 119.867 119.867 120.265 -0.398 19751 5450 1 9 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.649 0.474 19751 5451 1 9 . 1 1 72 72 ASP C C 72 177.598 177.598 177.595 0.003 19751 5452 1 9 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.843 0.614 19751 5453 1 9 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.626 -0.637 19751 5454 1 9 . 1 1 72 72 ASP H H 72 8.644 8.644 8.611 0.033 19751 5455 1 9 . 1 1 73 73 ALA N N 73 120.735 120.735 121.988 -1.253 19751 5456 1 9 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.065 -0.113 19751 5457 1 9 . 1 1 73 73 ALA C C 73 181.711 181.711 179.856 1.855 19751 5458 1 9 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.846 0.511 19751 5459 1 9 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.277 -0.456 19751 5460 1 9 . 1 1 73 73 ALA H H 73 8.212 8.212 8.200 0.012 19751 5461 1 9 . 1 1 74 74 SER N N 74 116.971 116.971 113.277 3.694 19751 5462 1 9 . 1 1 74 74 SER HA H 74 4.207 4.207 4.248 -0.041 19751 5463 1 9 . 1 1 74 74 SER C C 74 176.918 176.918 176.413 0.505 19751 5464 1 9 . 1 1 74 74 SER CA C 74 61.632 61.632 60.238 1.394 19751 5465 1 9 . 1 1 74 74 SER CB C 74 62.233 62.233 62.846 -0.613 19751 5466 1 9 . 1 1 74 74 SER H H 74 8.376 8.376 8.033 0.343 19751 5467 1 9 . 1 1 75 75 ALA N N 75 124.844 124.844 124.846 -0.002 19751 5468 1 9 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.761 0.061 19751 5469 1 9 . 1 1 75 75 ALA C C 75 179.160 179.160 179.046 0.114 19751 5470 1 9 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.246 0.055 19751 5471 1 9 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.668 0.844 19751 5472 1 9 . 1 1 75 75 ALA H H 75 9.121 9.121 7.569 1.552 19751 5473 1 9 . 1 1 76 76 LYS N N 76 117.821 117.821 117.923 -0.102 19751 5474 1 9 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.994 -0.189 19751 5475 1 9 . 1 1 76 76 LYS C C 76 179.175 179.175 178.615 0.560 19751 5476 1 9 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.296 0.842 19751 5477 1 9 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.851 0.511 19751 5478 1 9 . 1 1 76 76 LYS H H 76 8.306 8.306 7.918 0.388 19751 5479 1 9 . 1 1 77 77 ALA N N 77 122.703 122.703 121.164 1.539 19751 5480 1 9 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.127 0.063 19751 5481 1 9 . 1 1 77 77 ALA C C 77 180.868 180.868 179.685 1.183 19751 5482 1 9 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.662 0.490 19751 5483 1 9 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.250 -0.417 19751 5484 1 9 . 1 1 77 77 ALA H H 77 7.584 7.584 7.555 0.029 19751 5485 1 9 . 1 1 78 78 LEU N N 78 120.574 120.574 118.499 2.075 19751 5486 1 9 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.079 -0.043 19751 5487 1 9 . 1 1 78 78 LEU C C 78 178.870 178.870 179.032 -0.162 19751 5488 1 9 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.818 1.070 19751 5489 1 9 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.987 0.492 19751 5490 1 9 . 1 1 78 78 LEU H H 78 8.338 8.338 7.745 0.593 19751 5491 1 9 . 1 1 79 79 ALA N N 79 121.156 121.156 121.604 -0.448 19751 5492 1 9 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.101 -0.206 19751 5493 1 9 . 1 1 79 79 ALA C C 79 179.393 179.393 179.071 0.322 19751 5494 1 9 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.371 0.389 19751 5495 1 9 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.404 -1.148 19751 5496 1 9 . 1 1 79 79 ALA H H 79 8.491 8.491 8.438 0.053 19751 5497 1 9 . 1 1 80 80 THR N N 80 114.097 114.097 111.745 2.352 19751 5498 1 9 . 1 1 80 80 THR HA H 80 4.048 4.048 4.260 -0.212 19751 5499 1 9 . 1 1 80 80 THR C C 80 177.034 177.034 176.353 0.681 19751 5500 1 9 . 1 1 80 80 THR CA C 80 66.139 66.139 65.379 0.760 19751 5501 1 9 . 1 1 80 80 THR CB C 80 69.243 69.243 69.109 0.134 19751 5502 1 9 . 1 1 80 80 THR H H 80 8.111 8.111 7.832 0.279 19751 5503 1 9 . 1 1 81 81 ARG N N 81 121.321 121.321 120.279 1.042 19751 5504 1 9 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.150 -0.207 19751 5505 1 9 . 1 1 81 81 ARG C C 81 177.546 177.546 178.137 -0.591 19751 5506 1 9 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.320 0.720 19751 5507 1 9 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.296 0.427 19751 5508 1 9 . 1 1 81 81 ARG H H 81 7.893 7.893 7.523 0.370 19751 5509 1 9 . 1 1 82 82 HIS N N 82 113.320 113.320 114.456 -1.136 19751 5510 1 9 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.523 0.186 19751 5511 1 9 . 1 1 82 82 HIS C C 82 174.918 174.918 175.997 -1.079 19751 5512 1 9 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.455 -1.292 19751 5513 1 9 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.336 1.172 19751 5514 1 9 . 1 1 82 82 HIS H H 82 7.684 7.684 7.879 -0.195 19751 5515 1 9 . 1 1 83 83 GLY N N 83 109.763 109.763 105.872 3.891 19751 5516 1 9 . 1 1 83 83 GLY C C 83 174.866 174.866 174.033 0.833 19751 5517 1 9 . 1 1 83 83 GLY CA C 83 47.277 47.277 45.014 2.263 19751 5518 1 9 . 1 1 83 83 GLY H H 83 7.707 7.707 7.652 0.055 19751 5519 1 9 . 1 1 84 84 LEU N N 84 119.225 119.225 119.296 -0.071 19751 5520 1 9 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.534 0.300 19751 5521 1 9 . 1 1 84 84 LEU C C 84 174.880 174.880 176.264 -1.384 19751 5522 1 9 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.083 -1.214 19751 5523 1 9 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.647 2.436 19751 5524 1 9 . 1 1 84 84 LEU H H 84 8.672 8.672 7.308 1.364 19751 5525 1 9 . 1 1 85 85 ASN N N 85 117.042 117.042 117.027 0.015 19751 5526 1 9 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.908 0.260 19751 5527 1 9 . 1 1 85 85 ASN C C 85 175.212 175.212 174.044 1.168 19751 5528 1 9 . 1 1 85 85 ASN CA C 85 51.858 51.858 51.960 -0.102 19751 5529 1 9 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.407 0.475 19751 5530 1 9 . 1 1 85 85 ASN H H 85 8.955 8.955 8.420 0.535 19751 5531 1 9 . 1 1 86 86 PHE N N 86 126.957 126.957 126.849 0.108 19751 5532 1 9 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.517 -0.076 19751 5533 1 9 . 1 1 86 86 PHE C C 86 173.744 173.744 174.925 -1.181 19751 5534 1 9 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.684 0.921 19751 5535 1 9 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.076 -0.012 19751 5536 1 9 . 1 1 86 86 PHE H H 86 9.221 9.221 8.956 0.265 19751 5537 1 9 . 1 1 87 87 LYS N N 87 129.305 129.305 127.598 1.707 19751 5538 1 9 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.156 0.195 19751 5539 1 9 . 1 1 87 87 LYS C C 87 175.203 175.203 175.334 -0.131 19751 5540 1 9 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.967 -0.270 19751 5541 1 9 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.597 -0.023 19751 5542 1 9 . 1 1 87 87 LYS H H 87 8.397 8.397 8.782 -0.385 19751 5543 1 9 . 1 1 88 88 GLN N N 88 110.785 110.785 113.693 -2.908 19751 5544 1 9 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.360 0.031 19751 5545 1 9 . 1 1 88 88 GLN C C 88 185.308 185.308 173.567 11.741 19751 5546 1 9 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.674 0.079 19751 5547 1 9 . 1 1 88 88 GLN H H 88 6.855 6.855 7.880 -1.025 19751 5548 1 9 . 1 1 89 89 SER N N 89 113.927 113.927 114.278 -0.351 19751 5549 1 9 . 1 1 89 89 SER HA H 89 5.298 5.298 5.245 0.053 19751 5550 1 9 . 1 1 89 89 SER C C 89 173.757 173.757 173.970 -0.213 19751 5551 1 9 . 1 1 89 89 SER CA C 89 56.776 56.776 56.767 0.009 19751 5552 1 9 . 1 1 89 89 SER CB C 89 67.417 67.417 66.287 1.130 19751 5553 1 9 . 1 1 89 89 SER H H 89 8.718 8.718 8.410 0.308 19751 5554 1 9 . 1 1 90 90 SER N N 90 114.246 114.246 116.770 -2.524 19751 5555 1 9 . 1 1 90 90 SER HA H 90 4.597 4.597 4.681 -0.084 19751 5556 1 9 . 1 1 90 90 SER CA C 90 58.356 58.356 57.476 0.880 19751 5557 1 9 . 1 1 90 90 SER CB C 90 63.952 63.952 63.280 0.672 19751 5558 1 9 . 1 1 90 90 SER H H 90 8.479 8.479 8.550 -0.071 19751 5559 1 9 . 1 1 91 91 GLY N N 91 116.101 116.101 107.730 8.371 19751 5560 1 9 . 1 1 91 91 GLY C C 91 174.853 174.853 174.933 -0.080 19751 5561 1 9 . 1 1 91 91 GLY CA C 91 47.155 47.155 44.959 2.196 19751 5562 1 9 . 1 1 91 91 GLY H H 91 8.490 8.490 8.364 0.126 19751 5563 1 9 . 1 1 92 92 GLY N N 92 107.199 107.199 106.897 0.302 19751 5564 1 9 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.343 -0.677 19751 5565 1 9 . 1 1 92 92 GLY H H 92 8.914 8.914 8.126 0.788 19751 5566 1 9 . 1 1 93 93 ILE N N 93 118.958 118.958 118.042 0.916 19751 5567 1 9 . 1 1 93 93 ILE HA H 93 4.738 4.738 5.149 -0.411 19751 5568 1 9 . 1 1 93 93 ILE C C 93 175.050 175.050 173.875 1.175 19751 5569 1 9 . 1 1 93 93 ILE CA C 93 58.535 58.535 58.941 -0.406 19751 5570 1 9 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.171 -3.062 19751 5571 1 9 . 1 1 93 93 ILE H H 93 7.540 7.540 7.617 -0.077 19751 5572 1 9 . 1 1 94 94 ALA N N 94 131.032 131.032 128.444 2.588 19751 5573 1 9 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.220 -0.492 19751 5574 1 9 . 1 1 94 94 ALA C C 94 174.512 174.512 177.304 -2.792 19751 5575 1 9 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.108 0.330 19751 5576 1 9 . 1 1 94 94 ALA CB C 94 21.812 21.812 20.262 1.550 19751 5577 1 9 . 1 1 94 94 ALA H H 94 9.561 9.561 9.134 0.427 19751 5578 1 9 . 1 1 95 95 LEU N N 95 123.066 123.066 124.296 -1.230 19751 5579 1 9 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.951 0.012 19751 5580 1 9 . 1 1 95 95 LEU C C 95 174.922 174.922 176.083 -1.161 19751 5581 1 9 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.390 0.125 19751 5582 1 9 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.718 2.487 19751 5583 1 9 . 1 1 95 95 LEU H H 95 8.641 8.641 8.413 0.228 19751 5584 1 9 . 1 1 96 96 LEU N N 96 124.843 124.843 125.039 -0.196 19751 5585 1 9 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.002 0.169 19751 5586 1 9 . 1 1 96 96 LEU C C 96 175.059 175.059 177.070 -2.011 19751 5587 1 9 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.656 -1.017 19751 5588 1 9 . 1 1 96 96 LEU CB C 96 44.269 44.269 42.943 1.326 19751 5589 1 9 . 1 1 96 96 LEU H H 96 9.235 9.235 9.057 0.178 19751 5590 1 9 . 1 1 97 97 GLU N N 97 121.306 121.306 121.068 0.238 19751 5591 1 9 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.653 0.206 19751 5592 1 9 . 1 1 97 97 GLU C C 97 175.343 175.343 175.415 -0.072 19751 5593 1 9 . 1 1 97 97 GLU CA C 97 55.091 55.091 55.027 0.064 19751 5594 1 9 . 1 1 97 97 GLU CB C 97 33.415 33.415 31.209 2.206 19751 5595 1 9 . 1 1 97 97 GLU H H 97 9.113 9.113 8.606 0.507 19751 5596 1 9 . 1 1 98 98 ALA N N 98 126.658 126.658 128.565 -1.907 19751 5597 1 9 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.402 0.372 19751 5598 1 9 . 1 1 98 98 ALA C C 98 176.880 176.880 177.273 -0.393 19751 5599 1 9 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.342 -0.747 19751 5600 1 9 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.736 1.647 19751 5601 1 9 . 1 1 98 98 ALA H H 98 8.731 8.731 8.636 0.095 19751 5602 1 9 . 1 1 99 99 LYS N N 99 121.674 121.674 123.017 -1.343 19751 5603 1 9 . 1 1 99 99 LYS H H 99 8.636 8.636 8.233 0.403 19751 5604 1 9 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.212 0.250 19751 5605 1 9 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.812 -0.324 19751 5606 1 9 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.757 1.429 19751 5607 1 9 . 1 1 101 101 GLY N N 101 110.695 110.695 114.481 -3.786 19751 5608 1 9 . 1 1 101 101 GLY C C 101 174.676 174.676 174.518 0.158 19751 5609 1 9 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.890 0.293 19751 5610 1 9 . 1 1 101 101 GLY H H 101 8.709 8.709 8.410 0.299 19751 5611 1 9 . 1 1 102 102 THR N N 102 116.771 116.771 118.250 -1.479 19751 5612 1 9 . 1 1 102 102 THR HA H 102 4.134 4.134 4.352 -0.218 19751 5613 1 9 . 1 1 102 102 THR CA C 102 62.998 62.998 62.598 0.400 19751 5614 1 9 . 1 1 102 102 THR CB C 102 69.736 69.736 69.512 0.224 19751 5615 1 9 . 1 1 102 102 THR H H 102 7.652 7.652 7.560 0.092 19751 5616 1 9 . 1 1 103 103 ASP N N 103 125.950 125.950 127.434 -1.484 19751 5617 1 9 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.873 -0.169 19751 5618 1 9 . 1 1 103 103 ASP C C 103 175.907 175.907 177.106 -1.199 19751 5619 1 9 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.556 -0.809 19751 5620 1 9 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.052 0.935 19751 5621 1 9 . 1 1 103 103 ASP H H 103 8.849 8.849 8.663 0.186 19751 5622 1 9 . 1 1 104 104 LEU N N 104 127.195 127.195 119.933 7.262 19751 5623 1 9 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.902 -0.031 19751 5624 1 9 . 1 1 104 104 LEU C C 104 178.528 178.528 177.933 0.595 19751 5625 1 9 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.292 -0.864 19751 5626 1 9 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.387 0.795 19751 5627 1 9 . 1 1 104 104 LEU H H 104 8.464 8.464 7.407 1.057 19751 5628 1 9 . 1 1 105 105 ASN N N 105 116.748 116.748 116.636 0.112 19751 5629 1 9 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.262 0.075 19751 5630 1 9 . 1 1 105 105 ASN C C 105 177.999 177.999 176.364 1.635 19751 5631 1 9 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.672 -0.131 19751 5632 1 9 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.229 -0.004 19751 5633 1 9 . 1 1 105 105 ASN H H 105 8.225 8.225 8.456 -0.231 19751 5634 1 9 . 1 1 106 106 ALA N N 106 123.704 123.704 120.843 2.861 19751 5635 1 9 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.201 -0.115 19751 5636 1 9 . 1 1 106 106 ALA C C 106 181.021 181.021 179.222 1.799 19751 5637 1 9 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.078 0.806 19751 5638 1 9 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.938 -0.955 19751 5639 1 9 . 1 1 106 106 ALA H H 106 7.810 7.810 7.423 0.387 19751 5640 1 9 . 1 1 107 107 ILE N N 107 118.676 118.676 119.496 -0.820 19751 5641 1 9 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.328 0.326 19751 5642 1 9 . 1 1 107 107 ILE C C 107 177.324 177.324 177.745 -0.421 19751 5643 1 9 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.957 -1.122 19751 5644 1 9 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.353 0.254 19751 5645 1 9 . 1 1 107 107 ILE H H 107 7.582 7.582 7.579 0.003 19751 5646 1 9 . 1 1 108 108 ALA N N 108 122.550 122.550 121.791 0.759 19751 5647 1 9 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.861 -0.060 19751 5648 1 9 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.846 0.232 19751 5649 1 9 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.789 0.148 19751 5650 1 9 . 1 1 108 108 ALA H H 108 8.551 8.551 7.808 0.743 19751 5651 1 9 . 1 1 109 109 THR N N 109 113.975 113.975 112.359 1.616 19751 5652 1 9 . 1 1 109 109 THR HA H 109 3.806 3.806 3.940 -0.134 19751 5653 1 9 . 1 1 109 109 THR C C 109 176.632 176.632 176.412 0.220 19751 5654 1 9 . 1 1 109 109 THR CA C 109 67.362 67.362 66.950 0.412 19751 5655 1 9 . 1 1 109 109 THR CB C 109 68.554 68.554 68.150 0.404 19751 5656 1 9 . 1 1 109 109 THR H H 109 8.197 8.197 7.933 0.264 19751 5657 1 9 . 1 1 110 110 LYS N N 110 123.603 123.603 120.252 3.351 19751 5658 1 9 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.156 -0.079 19751 5659 1 9 . 1 1 110 110 LYS C C 110 179.640 179.640 177.503 2.137 19751 5660 1 9 . 1 1 110 110 LYS CA C 110 59.365 59.365 58.533 0.832 19751 5661 1 9 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.287 -0.216 19751 5662 1 9 . 1 1 110 110 LYS H H 110 7.656 7.656 7.628 0.028 19751 5663 1 9 . 1 1 111 111 LEU N N 111 120.492 120.492 118.516 1.976 19751 5664 1 9 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.256 -0.399 19751 5665 1 9 . 1 1 111 111 LEU C C 111 179.289 179.289 178.925 0.364 19751 5666 1 9 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.244 0.871 19751 5667 1 9 . 1 1 111 111 LEU CB C 111 41.115 41.115 42.184 -1.069 19751 5668 1 9 . 1 1 111 111 LEU H H 111 8.441 8.441 7.638 0.803 19751 5669 1 9 . 1 1 112 112 LYS N N 112 120.305 120.305 118.844 1.461 19751 5670 1 9 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.254 0.187 19751 5671 1 9 . 1 1 112 112 LYS C C 112 181.574 181.574 179.551 2.023 19751 5672 1 9 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.746 0.865 19751 5673 1 9 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.665 0.628 19751 5674 1 9 . 1 1 112 112 LYS H H 112 8.452 8.452 8.265 0.187 19751 5675 1 9 . 1 1 113 113 SER N N 113 116.992 116.992 115.616 1.376 19751 5676 1 9 . 1 1 113 113 SER HA H 113 4.389 4.389 4.270 0.119 19751 5677 1 9 . 1 1 113 113 SER C C 113 175.200 175.200 175.574 -0.374 19751 5678 1 9 . 1 1 113 113 SER CA C 113 61.260 61.260 60.785 0.475 19751 5679 1 9 . 1 1 113 113 SER CB C 113 62.863 62.863 62.994 -0.131 19751 5680 1 9 . 1 1 113 113 SER H H 113 7.995 7.995 7.918 0.077 19751 5681 1 9 . 1 1 114 114 GLU N N 114 120.677 120.677 117.855 2.822 19751 5682 1 9 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.388 0.043 19751 5683 1 9 . 1 1 114 114 GLU C C 114 176.506 176.506 176.601 -0.095 19751 5684 1 9 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.400 -0.088 19751 5685 1 9 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.646 -1.249 19751 5686 1 9 . 1 1 114 114 GLU H H 114 7.577 7.577 7.722 -0.145 19751 5687 1 9 . 1 1 115 115 GLY N N 115 107.383 107.383 107.519 -0.136 19751 5688 1 9 . 1 1 115 115 GLY C C 115 174.019 174.019 174.008 0.011 19751 5689 1 9 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.683 0.815 19751 5690 1 9 . 1 1 115 115 GLY H H 115 7.947 7.947 7.927 0.020 19751 5691 1 9 . 1 1 116 116 VAL N N 116 121.389 121.389 120.267 1.122 19751 5692 1 9 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.200 -0.068 19751 5693 1 9 . 1 1 116 116 VAL C C 116 175.092 175.092 174.855 0.237 19751 5694 1 9 . 1 1 116 116 VAL CA C 116 61.077 61.077 61.199 -0.122 19751 5695 1 9 . 1 1 116 116 VAL CB C 116 33.043 33.043 33.011 0.032 19751 5696 1 9 . 1 1 116 116 VAL H H 116 7.704 7.704 7.338 0.366 19751 5697 1 9 . 1 1 117 117 ASN N N 117 125.670 125.670 123.742 1.928 19751 5698 1 9 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.983 -0.189 19751 5699 1 9 . 1 1 117 117 ASN C C 117 173.847 173.847 173.908 -0.061 19751 5700 1 9 . 1 1 117 117 ASN CA C 117 53.204 53.204 52.647 0.557 19751 5701 1 9 . 1 1 117 117 ASN CB C 117 38.001 38.001 39.857 -1.856 19751 5702 1 9 . 1 1 117 117 ASN H H 117 9.161 9.161 8.552 0.609 19751 5703 1 9 . 1 1 118 118 VAL N N 118 121.648 121.648 118.305 3.343 19751 5704 1 9 . 1 1 118 118 VAL HA H 118 5.273 5.273 4.886 0.387 19751 5705 1 9 . 1 1 118 118 VAL C C 118 173.553 173.553 174.420 -0.867 19751 5706 1 9 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.489 -0.984 19751 5707 1 9 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.430 -0.341 19751 5708 1 9 . 1 1 118 118 VAL H H 118 7.811 7.811 8.184 -0.373 19751 5709 1 9 . 1 1 119 119 GLN N N 119 124.298 124.298 121.163 3.135 19751 5710 1 9 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.686 -0.033 19751 5711 1 9 . 1 1 119 119 GLN C C 119 174.263 174.263 174.752 -0.489 19751 5712 1 9 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.144 0.099 19751 5713 1 9 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.777 -0.251 19751 5714 1 9 . 1 1 119 119 GLN H H 119 8.746 8.746 8.318 0.428 19751 5715 1 9 . 1 1 120 120 ILE N N 120 122.997 122.997 126.612 -3.615 19751 5716 1 9 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.169 0.279 19751 5717 1 9 . 1 1 120 120 ILE C C 120 175.616 175.616 176.033 -0.417 19751 5718 1 9 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.388 0.569 19751 5719 1 9 . 1 1 120 120 ILE CB C 120 39.930 39.930 35.791 4.139 19751 5720 1 9 . 1 1 120 120 ILE H H 120 8.670 8.670 8.609 0.061 19751 5721 1 9 . 1 1 121 121 GLU N N 121 128.460 128.460 128.476 -0.016 19751 5722 1 9 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.594 -0.099 19751 5723 1 9 . 1 1 121 121 GLU C C 121 175.490 175.490 174.774 0.716 19751 5724 1 9 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.861 0.788 19751 5725 1 9 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.430 -1.240 19751 5726 1 9 . 1 1 121 121 GLU H H 121 8.641 8.641 8.362 0.279 19751 5727 1 9 . 1 1 122 122 LEU N N 122 126.756 126.756 119.712 7.044 19751 5728 1 9 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.742 -0.163 19751 5729 1 9 . 1 1 122 122 LEU C C 122 177.291 177.291 176.427 0.864 19751 5730 1 9 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.177 1.335 19751 5731 1 9 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.992 -2.571 19751 5732 1 9 . 1 1 122 122 LEU H H 122 8.642 8.642 8.292 0.350 19751 5733 1 9 . 1 1 123 123 SER N N 123 117.273 117.273 114.803 2.470 19751 5734 1 9 . 1 1 123 123 SER HA H 123 4.430 4.430 4.590 -0.160 19751 5735 1 9 . 1 1 123 123 SER C C 123 175.066 175.066 174.773 0.293 19751 5736 1 9 . 1 1 123 123 SER CA C 123 58.499 58.499 58.617 -0.118 19751 5737 1 9 . 1 1 123 123 SER CB C 123 63.946 63.946 64.391 -0.445 19751 5738 1 9 . 1 1 123 123 SER H H 123 8.496 8.496 8.609 -0.113 19751 5739 1 9 . 1 1 124 124 GLY N N 124 111.280 111.280 107.788 3.492 19751 5740 1 9 . 1 1 124 124 GLY C C 124 174.099 174.099 174.241 -0.142 19751 5741 1 9 . 1 1 124 124 GLY CA C 124 45.379 45.379 45.062 0.317 19751 5742 1 9 . 1 1 124 124 GLY H H 124 8.566 8.566 8.169 0.397 19751 5743 1 9 . 1 1 125 125 ALA N N 125 123.586 123.586 122.003 1.583 19751 5744 1 9 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.444 -0.137 19751 5745 1 9 . 1 1 125 125 ALA C C 125 177.915 177.915 177.395 0.520 19751 5746 1 9 . 1 1 125 125 ALA CA C 125 52.617 52.617 52.299 0.318 19751 5747 1 9 . 1 1 125 125 ALA CB C 125 19.308 19.308 19.853 -0.545 19751 5748 1 9 . 1 1 125 125 ALA H H 125 8.158 8.158 7.852 0.306 19751 5749 1 9 . 1 1 126 126 GLU N N 126 120.076 120.076 119.650 0.426 19751 5750 1 9 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.523 -0.172 19751 5751 1 9 . 1 1 126 126 GLU C C 126 176.544 176.544 175.650 0.894 19751 5752 1 9 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.621 1.262 19751 5753 1 9 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.670 -0.060 19751 5754 1 9 . 1 1 126 126 GLU H H 126 8.524 8.524 8.048 0.476 19751 5755 1 9 . 1 1 127 127 GLN N N 127 121.453 121.453 120.411 1.042 19751 5756 1 9 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.534 -0.227 19751 5757 1 9 . 1 1 127 127 GLN C C 127 175.691 175.691 175.935 -0.244 19751 5758 1 9 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.364 0.216 19751 5759 1 9 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.497 0.206 19751 5760 1 9 . 1 1 127 127 GLN H H 127 8.356 8.356 8.396 -0.040 19751 5761 1 9 . 1 1 128 128 GLN N N 128 122.570 122.570 122.702 -0.132 19751 5762 1 9 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.734 -0.149 19751 5763 1 9 . 1 1 128 128 GLN CA C 128 53.744 53.744 54.449 -0.705 19751 5764 1 9 . 1 1 128 128 GLN CB C 128 28.864 28.864 28.550 0.314 19751 5765 1 9 . 1 1 128 128 GLN H H 128 8.348 8.348 8.457 -0.109 19751 5766 1 9 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.581 -0.180 19751 5767 1 9 . 1 1 129 129 PRO C C 129 175.988 175.988 175.966 0.022 19751 5768 1 9 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.743 0.706 19751 5769 1 9 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.382 -0.425 19751 5770 1 10 . 1 1 2 2 GLU N N 2 122.196 122.196 119.905 2.291 19751 5771 1 10 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.842 -0.607 19751 5772 1 10 . 1 1 2 2 GLU C C 2 175.712 175.712 175.110 0.602 19751 5773 1 10 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.387 0.245 19751 5774 1 10 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.823 -0.852 19751 5775 1 10 . 1 1 2 2 GLU H H 2 8.617 8.617 8.925 -0.308 19751 5776 1 10 . 1 1 3 3 SER N N 3 116.623 116.623 115.291 1.332 19751 5777 1 10 . 1 1 3 3 SER HA H 3 4.597 4.597 4.643 -0.046 19751 5778 1 10 . 1 1 3 3 SER C C 3 174.294 174.294 172.946 1.348 19751 5779 1 10 . 1 1 3 3 SER CA C 3 58.386 58.386 58.538 -0.152 19751 5780 1 10 . 1 1 3 3 SER CB C 3 64.039 64.039 64.379 -0.340 19751 5781 1 10 . 1 1 3 3 SER H H 3 8.305 8.305 8.348 -0.043 19751 5782 1 10 . 1 1 4 4 VAL N N 4 121.759 121.759 119.216 2.543 19751 5783 1 10 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.452 -0.143 19751 5784 1 10 . 1 1 4 4 VAL C C 4 176.177 176.177 175.187 0.990 19751 5785 1 10 . 1 1 4 4 VAL CA C 4 61.709 61.709 61.906 -0.196 19751 5786 1 10 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.887 -0.532 19751 5787 1 10 . 1 1 4 4 VAL H H 4 8.303 8.303 8.077 0.226 19751 5788 1 10 . 1 1 5 5 THR N N 5 118.335 118.335 118.448 -0.113 19751 5789 1 10 . 1 1 5 5 THR HA H 5 4.592 4.592 4.664 -0.072 19751 5790 1 10 . 1 1 5 5 THR C C 5 173.579 173.579 174.430 -0.851 19751 5791 1 10 . 1 1 5 5 THR CA C 5 62.022 62.022 61.429 0.593 19751 5792 1 10 . 1 1 5 5 THR CB C 5 70.047 70.047 69.724 0.323 19751 5793 1 10 . 1 1 5 5 THR H H 5 8.319 8.319 8.148 0.171 19751 5794 1 10 . 1 1 6 6 MET N N 6 123.858 123.858 123.065 0.793 19751 5795 1 10 . 1 1 6 6 MET CA C 6 57.260 57.260 54.975 2.285 19751 5796 1 10 . 1 1 6 6 MET CB C 6 33.780 33.780 34.563 -0.783 19751 5797 1 10 . 1 1 6 6 MET H H 6 8.035 8.035 8.397 -0.362 19751 5798 1 10 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.944 -0.447 19751 5799 1 10 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.247 0.903 19751 5800 1 10 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.842 -1.578 19751 5801 1 10 . 1 1 8 8 GLY N N 8 114.130 114.130 108.455 5.675 19751 5802 1 10 . 1 1 8 8 GLY CA C 8 45.613 45.613 45.543 0.070 19751 5803 1 10 . 1 1 8 8 GLY H H 8 8.386 8.386 8.318 0.068 19751 5804 1 10 . 1 1 9 9 LYS N N 9 120.803 120.803 124.304 -3.501 19751 5805 1 10 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.491 -0.147 19751 5806 1 10 . 1 1 9 9 LYS H H 9 8.021 8.021 8.368 -0.347 19751 5807 1 10 . 1 1 10 10 GLN N N 10 120.522 120.522 121.951 -1.429 19751 5808 1 10 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.621 -0.154 19751 5809 1 10 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.809 -0.528 19751 5810 1 10 . 1 1 10 10 GLN CB C 10 30.410 30.410 29.453 0.956 19751 5811 1 10 . 1 1 10 10 GLN H H 10 8.246 8.246 8.592 -0.346 19751 5812 1 10 . 1 1 11 11 TYR N N 11 121.213 121.213 122.752 -1.539 19751 5813 1 10 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.853 -0.554 19751 5814 1 10 . 1 1 11 11 TYR CA C 11 56.949 56.949 56.268 0.681 19751 5815 1 10 . 1 1 11 11 TYR CB C 11 43.274 43.274 39.818 3.456 19751 5816 1 10 . 1 1 11 11 TYR H H 11 8.873 8.873 8.324 0.549 19751 5817 1 10 . 1 1 12 12 SER N N 12 117.406 117.406 117.072 0.334 19751 5818 1 10 . 1 1 12 12 SER HA H 12 4.715 4.715 4.645 0.070 19751 5819 1 10 . 1 1 12 12 SER CA C 12 57.374 57.374 58.112 -0.738 19751 5820 1 10 . 1 1 12 12 SER CB C 12 63.946 63.946 63.771 0.175 19751 5821 1 10 . 1 1 12 12 SER H H 12 9.047 9.047 8.396 0.651 19751 5822 1 10 . 1 1 13 13 THR N N 13 112.091 112.091 120.498 -8.407 19751 5823 1 10 . 1 1 13 13 THR HA H 13 4.929 4.929 4.716 0.213 19751 5824 1 10 . 1 1 13 13 THR CA C 13 60.716 60.716 62.029 -1.313 19751 5825 1 10 . 1 1 13 13 THR CB C 13 71.808 71.808 70.835 0.973 19751 5826 1 10 . 1 1 13 13 THR H H 13 8.235 8.235 8.325 -0.090 19751 5827 1 10 . 1 1 14 14 ILE N N 14 120.891 120.891 120.766 0.125 19751 5828 1 10 . 1 1 14 14 ILE H H 14 9.108 9.108 8.423 0.685 19751 5829 1 10 . 1 1 15 15 GLU N N 15 127.598 127.598 126.169 1.429 19751 5830 1 10 . 1 1 15 15 GLU H H 15 8.300 8.300 8.635 -0.335 19751 5831 1 10 . 1 1 16 16 VAL N N 16 126.224 126.224 119.745 6.479 19751 5832 1 10 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.351 -0.067 19751 5833 1 10 . 1 1 16 16 VAL CA C 16 61.835 61.835 60.759 1.076 19751 5834 1 10 . 1 1 16 16 VAL CB C 16 34.896 34.896 32.184 2.712 19751 5835 1 10 . 1 1 16 16 VAL H H 16 9.320 9.320 8.372 0.948 19751 5836 1 10 . 1 1 17 17 ASN N N 17 123.394 123.394 126.068 -2.674 19751 5837 1 10 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.372 0.792 19751 5838 1 10 . 1 1 17 17 ASN CA C 17 53.549 53.549 54.192 -0.643 19751 5839 1 10 . 1 1 17 17 ASN CB C 17 37.215 37.215 38.028 -0.813 19751 5840 1 10 . 1 1 17 17 ASN H H 17 9.310 9.310 9.382 -0.072 19751 5841 1 10 . 1 1 18 18 GLY H H 18 9.024 9.024 8.262 0.762 19751 5842 1 10 . 1 1 19 19 GLN N N 19 119.994 119.994 119.668 0.326 19751 5843 1 10 . 1 1 19 19 GLN H H 19 7.990 7.990 7.730 0.260 19751 5844 1 10 . 1 1 20 20 THR N N 20 117.472 117.472 117.244 0.228 19751 5845 1 10 . 1 1 20 20 THR HA H 20 4.384 4.384 4.385 -0.001 19751 5846 1 10 . 1 1 20 20 THR CA C 20 63.334 63.334 61.997 1.337 19751 5847 1 10 . 1 1 20 20 THR CB C 20 69.401 69.401 69.201 0.200 19751 5848 1 10 . 1 1 20 20 THR H H 20 8.401 8.401 8.830 -0.429 19751 5849 1 10 . 1 1 21 21 TYR N N 21 126.847 126.847 122.628 4.219 19751 5850 1 10 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.711 -0.549 19751 5851 1 10 . 1 1 21 21 TYR CA C 21 57.487 57.487 56.753 0.734 19751 5852 1 10 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.338 3.992 19751 5853 1 10 . 1 1 21 21 TYR H H 21 9.367 9.367 8.011 1.356 19751 5854 1 10 . 1 1 22 22 LEU N N 22 118.537 118.537 125.303 -6.766 19751 5855 1 10 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.864 -0.672 19751 5856 1 10 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.282 2.639 19751 5857 1 10 . 1 1 22 22 LEU CB C 22 43.212 43.212 44.240 -1.028 19751 5858 1 10 . 1 1 22 22 LEU H H 22 9.060 9.060 8.607 0.453 19751 5859 1 10 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.472 -0.081 19751 5860 1 10 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.887 0.447 19751 5861 1 10 . 1 1 24 24 PRO CB C 24 32.140 32.140 31.848 0.292 19751 5862 1 10 . 1 1 25 25 ASP N N 25 121.554 121.554 122.652 -1.098 19751 5863 1 10 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.745 -0.153 19751 5864 1 10 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.758 0.550 19751 5865 1 10 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.609 -0.522 19751 5866 1 10 . 1 1 25 25 ASP H H 25 8.324 8.324 8.648 -0.324 19751 5867 1 10 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.735 0.004 19751 5868 1 10 . 1 1 26 26 ASN CA C 26 52.656 52.656 52.950 -0.294 19751 5869 1 10 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.591 -0.459 19751 5870 1 10 . 1 1 27 27 GLY N N 27 109.206 109.206 108.966 0.240 19751 5871 1 10 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.434 0.980 19751 5872 1 10 . 1 1 27 27 GLY H H 27 8.494 8.494 8.509 -0.015 19751 5873 1 10 . 1 1 28 28 SER N N 28 116.238 116.238 117.746 -1.508 19751 5874 1 10 . 1 1 28 28 SER HA H 28 4.384 4.384 4.622 -0.238 19751 5875 1 10 . 1 1 28 28 SER CA C 28 60.226 60.226 57.760 2.466 19751 5876 1 10 . 1 1 28 28 SER CB C 28 63.818 63.818 63.626 0.192 19751 5877 1 10 . 1 1 28 28 SER H H 28 8.372 8.372 8.152 0.220 19751 5878 1 10 . 1 1 29 29 LYS N N 29 121.905 121.905 126.229 -4.324 19751 5879 1 10 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.522 -0.191 19751 5880 1 10 . 1 1 29 29 LYS CA C 29 56.353 56.353 56.306 0.047 19751 5881 1 10 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.133 0.214 19751 5882 1 10 . 1 1 29 29 LYS H H 29 8.027 8.027 8.624 -0.597 19751 5883 1 10 . 1 1 30 30 LYS N N 30 122.663 122.663 121.786 0.877 19751 5884 1 10 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.625 -0.331 19751 5885 1 10 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.837 0.377 19751 5886 1 10 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.882 -0.710 19751 5887 1 10 . 1 1 30 30 LYS H H 30 8.223 8.223 8.429 -0.206 19751 5888 1 10 . 1 1 31 31 ARG N N 31 123.469 123.469 121.707 1.762 19751 5889 1 10 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.872 -0.517 19751 5890 1 10 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.061 1.234 19751 5891 1 10 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.420 0.434 19751 5892 1 10 . 1 1 31 31 ARG H H 31 8.404 8.404 8.838 -0.434 19751 5893 1 10 . 1 1 32 32 VAL N N 32 122.456 122.456 116.964 5.492 19751 5894 1 10 . 1 1 32 32 VAL HA H 32 4.243 4.243 5.114 -0.871 19751 5895 1 10 . 1 1 32 32 VAL CA C 32 62.316 62.316 60.788 1.528 19751 5896 1 10 . 1 1 32 32 VAL CB C 32 32.863 32.863 34.787 -1.924 19751 5897 1 10 . 1 1 32 32 VAL H H 32 8.214 8.214 8.996 -0.782 19751 5898 1 10 . 1 1 33 33 ALA N N 33 127.685 127.685 127.100 0.585 19751 5899 1 10 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.546 -0.244 19751 5900 1 10 . 1 1 33 33 ALA CA C 33 52.617 52.617 52.060 0.557 19751 5901 1 10 . 1 1 33 33 ALA CB C 33 19.308 19.308 19.905 -0.597 19751 5902 1 10 . 1 1 33 33 ALA H H 33 8.374 8.374 8.380 -0.006 19751 5903 1 10 . 1 1 34 34 ARG N N 34 119.922 119.922 121.750 -1.828 19751 5904 1 10 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.596 -0.273 19751 5905 1 10 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.919 0.901 19751 5906 1 10 . 1 1 34 34 ARG CB C 34 30.160 30.160 30.880 -0.720 19751 5907 1 10 . 1 1 34 34 ARG H H 34 8.652 8.652 8.492 0.160 19751 5908 1 10 . 1 1 35 35 SER N N 35 116.881 116.881 119.068 -2.187 19751 5909 1 10 . 1 1 35 35 SER HA H 35 4.543 4.543 4.800 -0.257 19751 5910 1 10 . 1 1 35 35 SER CA C 35 58.440 58.440 57.515 0.925 19751 5911 1 10 . 1 1 35 35 SER CB C 35 64.094 64.094 64.867 -0.773 19751 5912 1 10 . 1 1 35 35 SER H H 35 8.359 8.359 8.775 -0.416 19751 5913 1 10 . 1 1 36 36 LEU N N 36 124.595 124.595 124.124 0.471 19751 5914 1 10 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.637 -0.264 19751 5915 1 10 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.927 -0.333 19751 5916 1 10 . 1 1 36 36 LEU CB C 36 42.278 42.278 44.355 -2.077 19751 5917 1 10 . 1 1 36 36 LEU H H 36 8.546 8.546 8.315 0.231 19751 5918 1 10 . 1 1 37 37 ASP N N 37 119.422 119.422 123.870 -4.448 19751 5919 1 10 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.091 -0.499 19751 5920 1 10 . 1 1 37 37 ASP CA C 37 54.308 54.308 54.161 0.147 19751 5921 1 10 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.385 -1.203 19751 5922 1 10 . 1 1 37 37 ASP H H 37 8.186 8.186 8.843 -0.657 19751 5923 1 10 . 1 1 38 38 SER N N 38 116.413 116.413 118.612 -2.199 19751 5924 1 10 . 1 1 38 38 SER HA H 38 4.450 4.450 4.848 -0.398 19751 5925 1 10 . 1 1 38 38 SER CA C 38 58.499 58.499 57.516 0.983 19751 5926 1 10 . 1 1 38 38 SER CB C 38 63.818 63.818 65.299 -1.481 19751 5927 1 10 . 1 1 38 38 SER H H 38 8.177 8.177 8.275 -0.098 19751 5928 1 10 . 1 1 39 39 LYS N N 39 123.095 123.095 123.512 -0.417 19751 5929 1 10 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.838 -0.501 19751 5930 1 10 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.039 1.640 19751 5931 1 10 . 1 1 39 39 LYS CB C 39 32.232 32.232 34.669 -2.437 19751 5932 1 10 . 1 1 39 39 LYS H H 39 8.379 8.379 8.432 -0.053 19751 5933 1 10 . 1 1 40 40 VAL N N 40 122.475 122.475 119.741 2.734 19751 5934 1 10 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.375 0.013 19751 5935 1 10 . 1 1 40 40 VAL CA C 40 60.161 60.161 59.933 0.228 19751 5936 1 10 . 1 1 40 40 VAL CB C 40 32.615 32.615 31.670 0.945 19751 5937 1 10 . 1 1 40 40 VAL H H 40 8.069 8.069 8.367 -0.298 19751 5938 1 10 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.635 -0.214 19751 5939 1 10 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.278 -0.520 19751 5940 1 10 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.977 1.330 19751 5941 1 10 . 1 1 42 42 GLN N N 42 121.230 121.230 122.873 -1.643 19751 5942 1 10 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.414 -0.135 19751 5943 1 10 . 1 1 42 42 GLN CA C 42 56.028 56.028 56.102 -0.074 19751 5944 1 10 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.889 -1.170 19751 5945 1 10 . 1 1 42 42 GLN H H 42 8.482 8.482 8.341 0.141 19751 5946 1 10 . 1 1 43 43 GLN N N 43 121.831 121.831 125.130 -3.299 19751 5947 1 10 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.702 -0.313 19751 5948 1 10 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.609 -0.685 19751 5949 1 10 . 1 1 43 43 GLN CB C 43 29.529 29.529 29.740 -0.211 19751 5950 1 10 . 1 1 43 43 GLN H H 43 8.506 8.506 8.570 -0.064 19751 5951 1 10 . 1 1 44 44 THR N N 44 116.251 116.251 118.619 -2.368 19751 5952 1 10 . 1 1 44 44 THR HA H 44 4.302 4.302 4.538 -0.236 19751 5953 1 10 . 1 1 44 44 THR CA C 44 61.922 61.922 62.688 -0.766 19751 5954 1 10 . 1 1 44 44 THR CB C 44 69.811 69.811 69.382 0.429 19751 5955 1 10 . 1 1 44 44 THR H H 44 8.231 8.231 8.328 -0.097 19751 5956 1 10 . 1 1 45 45 LEU N N 45 125.046 125.046 127.222 -2.176 19751 5957 1 10 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.931 -0.433 19751 5958 1 10 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.625 0.482 19751 5959 1 10 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.904 -1.092 19751 5960 1 10 . 1 1 45 45 LEU H H 45 8.257 8.257 8.983 -0.726 19751 5961 1 10 . 1 1 46 46 ARG N N 46 120.522 120.522 124.208 -3.686 19751 5962 1 10 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.146 -0.913 19751 5963 1 10 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.242 1.222 19751 5964 1 10 . 1 1 46 46 ARG CB C 46 29.971 29.971 32.598 -2.627 19751 5965 1 10 . 1 1 46 46 ARG H H 46 8.007 8.007 8.725 -0.718 19751 5966 1 10 . 1 1 47 47 ARG N N 47 121.010 121.010 119.757 1.253 19751 5967 1 10 . 1 1 47 47 ARG H H 47 8.324 8.324 8.717 -0.393 19751 5968 1 10 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.577 0.763 19751 5969 1 10 . 1 1 49 49 ASP N N 49 120.513 120.513 122.098 -1.585 19751 5970 1 10 . 1 1 49 49 ASP HA H 49 4.619 4.619 5.122 -0.503 19751 5971 1 10 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.970 0.360 19751 5972 1 10 . 1 1 49 49 ASP CB C 49 41.163 41.163 43.727 -2.564 19751 5973 1 10 . 1 1 49 49 ASP H H 49 8.225 8.225 8.631 -0.406 19751 5974 1 10 . 1 1 50 50 VAL N N 50 119.718 119.718 123.462 -3.744 19751 5975 1 10 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.533 -0.461 19751 5976 1 10 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.667 0.735 19751 5977 1 10 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.971 -1.177 19751 5978 1 10 . 1 1 50 50 VAL H H 50 8.024 8.024 8.420 -0.396 19751 5979 1 10 . 1 1 51 51 LEU N N 51 125.249 125.249 125.809 -0.560 19751 5980 1 10 . 1 1 51 51 LEU HA H 51 4.346 4.346 5.088 -0.742 19751 5981 1 10 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.335 1.035 19751 5982 1 10 . 1 1 51 51 LEU CB C 51 42.379 42.379 44.228 -1.849 19751 5983 1 10 . 1 1 51 51 LEU H H 51 8.305 8.305 8.705 -0.400 19751 5984 1 10 . 1 1 52 52 MET HA H 52 4.458 4.458 4.853 -0.395 19751 5985 1 10 . 1 1 52 52 MET CA C 52 55.417 55.417 55.683 -0.266 19751 5986 1 10 . 1 1 52 52 MET CB C 52 32.264 32.264 34.557 -2.293 19751 5987 1 10 . 1 1 53 53 GLN N N 53 121.447 121.447 124.198 -2.751 19751 5988 1 10 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.587 -0.280 19751 5989 1 10 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.005 1.208 19751 5990 1 10 . 1 1 53 53 GLN CB C 53 29.697 29.697 29.638 0.059 19751 5991 1 10 . 1 1 53 53 GLN H H 53 8.373 8.373 8.643 -0.270 19751 5992 1 10 . 1 1 54 54 GLY N N 54 110.484 110.484 107.790 2.694 19751 5993 1 10 . 1 1 54 54 GLY CA C 54 45.250 45.250 44.387 0.863 19751 5994 1 10 . 1 1 54 54 GLY H H 54 8.456 8.456 8.211 0.245 19751 5995 1 10 . 1 1 55 55 ALA N N 55 123.673 123.673 123.692 -0.019 19751 5996 1 10 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.440 -0.133 19751 5997 1 10 . 1 1 55 55 ALA C C 55 177.397 177.397 175.792 1.605 19751 5998 1 10 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.143 0.474 19751 5999 1 10 . 1 1 55 55 ALA CB C 55 19.308 19.308 19.732 -0.424 19751 6000 1 10 . 1 1 55 55 ALA H H 55 8.113 8.113 8.220 -0.107 19751 6001 1 10 . 1 1 56 56 ALA N N 56 123.295 123.295 125.702 -2.407 19751 6002 1 10 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.253 -0.950 19751 6003 1 10 . 1 1 56 56 ALA C C 56 177.446 177.446 176.060 1.386 19751 6004 1 10 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.629 0.804 19751 6005 1 10 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.647 -1.339 19751 6006 1 10 . 1 1 56 56 ALA H H 56 8.297 8.297 8.492 -0.195 19751 6007 1 10 . 1 1 57 57 SER N N 57 116.534 116.534 117.989 -1.455 19751 6008 1 10 . 1 1 57 57 SER HA H 57 4.737 4.737 4.638 0.099 19751 6009 1 10 . 1 1 57 57 SER CA C 57 56.332 56.332 57.918 -1.586 19751 6010 1 10 . 1 1 57 57 SER CB C 57 63.567 63.567 63.478 0.089 19751 6011 1 10 . 1 1 57 57 SER H H 57 8.258 8.258 8.808 -0.550 19751 6012 1 10 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.878 -0.476 19751 6013 1 10 . 1 1 58 58 PRO C C 58 176.874 176.874 176.101 0.773 19751 6014 1 10 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.140 0.217 19751 6015 1 10 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.858 -0.823 19751 6016 1 10 . 1 1 59 59 GLU N N 59 120.545 120.545 119.736 0.809 19751 6017 1 10 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.588 -0.352 19751 6018 1 10 . 1 1 59 59 GLU C C 59 176.383 176.383 174.688 1.695 19751 6019 1 10 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.940 0.635 19751 6020 1 10 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.506 -1.403 19751 6021 1 10 . 1 1 59 59 GLU H H 59 8.556 8.556 8.533 0.023 19751 6022 1 10 . 1 1 60 60 LEU N N 60 122.946 122.946 123.666 -0.720 19751 6023 1 10 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.756 -0.312 19751 6024 1 10 . 1 1 60 60 LEU C C 60 177.201 177.201 176.086 1.115 19751 6025 1 10 . 1 1 60 60 LEU CA C 60 55.120 55.120 55.285 -0.165 19751 6026 1 10 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.448 -1.160 19751 6027 1 10 . 1 1 60 60 LEU H H 60 8.205 8.205 8.515 -0.310 19751 6028 1 10 . 1 1 61 61 THR N N 61 115.168 115.168 114.171 0.997 19751 6029 1 10 . 1 1 61 61 THR HA H 61 4.380 4.380 4.557 -0.177 19751 6030 1 10 . 1 1 61 61 THR C C 61 174.201 174.201 173.629 0.572 19751 6031 1 10 . 1 1 61 61 THR CA C 61 61.792 61.792 61.728 0.064 19751 6032 1 10 . 1 1 61 61 THR CB C 61 69.770 69.770 68.805 0.965 19751 6033 1 10 . 1 1 61 61 THR H H 61 8.149 8.149 8.417 -0.268 19751 6034 1 10 . 1 1 62 62 VAL N N 62 121.650 121.650 121.076 0.574 19751 6035 1 10 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.751 -0.432 19751 6036 1 10 . 1 1 62 62 VAL C C 62 175.921 175.921 174.060 1.861 19751 6037 1 10 . 1 1 62 62 VAL CA C 62 61.709 61.709 59.213 2.496 19751 6038 1 10 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.532 -1.177 19751 6039 1 10 . 1 1 62 62 VAL H H 62 8.091 8.091 7.910 0.181 19751 6040 1 10 . 1 1 63 63 SER N N 63 120.076 120.076 114.407 5.669 19751 6041 1 10 . 1 1 63 63 SER HA H 63 4.542 4.542 4.697 -0.155 19751 6042 1 10 . 1 1 63 63 SER C C 63 174.254 174.254 173.414 0.840 19751 6043 1 10 . 1 1 63 63 SER CA C 63 58.375 58.375 57.910 0.465 19751 6044 1 10 . 1 1 63 63 SER CB C 63 64.196 64.196 65.387 -1.191 19751 6045 1 10 . 1 1 63 63 SER H H 63 8.524 8.524 8.243 0.281 19751 6046 1 10 . 1 1 64 64 GLY N N 64 109.912 109.912 108.923 0.989 19751 6047 1 10 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.983 -0.599 19751 6048 1 10 . 1 1 64 64 GLY H H 64 8.255 8.255 8.440 -0.185 19751 6049 1 10 . 1 1 65 65 THR N N 65 114.200 114.200 116.280 -2.080 19751 6050 1 10 . 1 1 65 65 THR HA H 65 4.929 4.929 5.294 -0.365 19751 6051 1 10 . 1 1 65 65 THR CA C 65 60.826 60.826 61.145 -0.319 19751 6052 1 10 . 1 1 65 65 THR CB C 65 71.805 71.805 72.818 -1.013 19751 6053 1 10 . 1 1 65 65 THR H H 65 8.468 8.468 8.460 0.008 19751 6054 1 10 . 1 1 66 66 LEU N N 66 122.673 122.673 123.114 -0.441 19751 6055 1 10 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.829 0.092 19751 6056 1 10 . 1 1 66 66 LEU C C 66 174.364 174.364 174.317 0.047 19751 6057 1 10 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.106 -0.696 19751 6058 1 10 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.894 -1.444 19751 6059 1 10 . 1 1 66 66 LEU H H 66 9.054 9.054 8.915 0.139 19751 6060 1 10 . 1 1 67 67 LEU N N 67 124.219 124.219 126.168 -1.949 19751 6061 1 10 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.852 0.356 19751 6062 1 10 . 1 1 67 67 LEU C C 67 177.107 177.107 175.730 1.377 19751 6063 1 10 . 1 1 67 67 LEU CA C 67 53.773 53.773 53.913 -0.140 19751 6064 1 10 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.545 0.661 19751 6065 1 10 . 1 1 67 67 LEU H H 67 8.927 8.927 9.239 -0.312 19751 6066 1 10 . 1 1 68 68 VAL N N 68 121.113 121.113 125.128 -4.015 19751 6067 1 10 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.201 0.655 19751 6068 1 10 . 1 1 68 68 VAL C C 68 174.079 174.079 174.423 -0.344 19751 6069 1 10 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.197 -0.339 19751 6070 1 10 . 1 1 68 68 VAL CB C 68 35.015 35.015 35.081 -0.066 19751 6071 1 10 . 1 1 68 68 VAL H H 68 9.345 9.345 8.663 0.682 19751 6072 1 10 . 1 1 69 69 GLU N N 69 127.682 127.682 130.617 -2.935 19751 6073 1 10 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.642 0.257 19751 6074 1 10 . 1 1 69 69 GLU C C 69 173.485 173.485 175.011 -1.526 19751 6075 1 10 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.246 -0.899 19751 6076 1 10 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.233 0.738 19751 6077 1 10 . 1 1 69 69 GLU H H 69 8.110 8.110 8.706 -0.596 19751 6078 1 10 . 1 1 70 70 ALA N N 70 130.042 130.042 128.289 1.753 19751 6079 1 10 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.587 -0.023 19751 6080 1 10 . 1 1 70 70 ALA C C 70 174.853 174.853 175.886 -1.033 19751 6081 1 10 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.386 0.317 19751 6082 1 10 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.284 0.147 19751 6083 1 10 . 1 1 70 70 ALA H H 70 7.991 7.991 7.669 0.322 19751 6084 1 10 . 1 1 71 71 ASP N N 71 117.021 117.021 120.381 -3.360 19751 6085 1 10 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.656 -0.076 19751 6086 1 10 . 1 1 71 71 ASP C C 71 175.160 175.160 177.012 -1.852 19751 6087 1 10 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.809 -0.766 19751 6088 1 10 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.659 -1.737 19751 6089 1 10 . 1 1 71 71 ASP H H 71 8.025 8.025 8.531 -0.506 19751 6090 1 10 . 1 1 72 72 ASP N N 72 119.867 119.867 120.459 -0.592 19751 6091 1 10 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.551 0.572 19751 6092 1 10 . 1 1 72 72 ASP C C 72 177.598 177.598 177.377 0.221 19751 6093 1 10 . 1 1 72 72 ASP CA C 72 58.457 58.457 58.079 0.378 19751 6094 1 10 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.469 -0.480 19751 6095 1 10 . 1 1 72 72 ASP H H 72 8.644 8.644 8.743 -0.099 19751 6096 1 10 . 1 1 73 73 ALA N N 73 120.735 120.735 120.748 -0.013 19751 6097 1 10 . 1 1 73 73 ALA HA H 73 3.952 3.952 3.982 -0.030 19751 6098 1 10 . 1 1 73 73 ALA C C 73 181.711 181.711 179.428 2.283 19751 6099 1 10 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.706 0.651 19751 6100 1 10 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.331 -0.510 19751 6101 1 10 . 1 1 73 73 ALA H H 73 8.212 8.212 8.396 -0.184 19751 6102 1 10 . 1 1 74 74 SER N N 74 116.971 116.971 113.998 2.973 19751 6103 1 10 . 1 1 74 74 SER HA H 74 4.207 4.207 4.187 0.020 19751 6104 1 10 . 1 1 74 74 SER C C 74 176.918 176.918 176.353 0.565 19751 6105 1 10 . 1 1 74 74 SER CA C 74 61.632 61.632 60.632 1.000 19751 6106 1 10 . 1 1 74 74 SER CB C 74 62.233 62.233 63.046 -0.813 19751 6107 1 10 . 1 1 74 74 SER H H 74 8.376 8.376 7.359 1.017 19751 6108 1 10 . 1 1 75 75 ALA N N 75 124.844 124.844 125.420 -0.576 19751 6109 1 10 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.790 0.032 19751 6110 1 10 . 1 1 75 75 ALA C C 75 179.160 179.160 178.983 0.177 19751 6111 1 10 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.253 0.048 19751 6112 1 10 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.732 0.780 19751 6113 1 10 . 1 1 75 75 ALA H H 75 9.121 9.121 7.644 1.477 19751 6114 1 10 . 1 1 76 76 LYS N N 76 117.821 117.821 118.015 -0.194 19751 6115 1 10 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.981 -0.176 19751 6116 1 10 . 1 1 76 76 LYS C C 76 179.175 179.175 178.647 0.528 19751 6117 1 10 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.337 0.801 19751 6118 1 10 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.814 0.548 19751 6119 1 10 . 1 1 76 76 LYS H H 76 8.306 8.306 7.768 0.538 19751 6120 1 10 . 1 1 77 77 ALA N N 77 122.703 122.703 121.860 0.843 19751 6121 1 10 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.123 0.067 19751 6122 1 10 . 1 1 77 77 ALA C C 77 180.868 180.868 179.904 0.964 19751 6123 1 10 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.686 0.466 19751 6124 1 10 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.252 -0.420 19751 6125 1 10 . 1 1 77 77 ALA H H 77 7.584 7.584 7.426 0.158 19751 6126 1 10 . 1 1 78 78 LEU N N 78 120.574 120.574 118.498 2.076 19751 6127 1 10 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.133 -0.097 19751 6128 1 10 . 1 1 78 78 LEU C C 78 178.870 178.870 179.300 -0.430 19751 6129 1 10 . 1 1 78 78 LEU CA C 78 57.888 57.888 57.135 0.753 19751 6130 1 10 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.937 0.542 19751 6131 1 10 . 1 1 78 78 LEU H H 78 8.338 8.338 7.886 0.452 19751 6132 1 10 . 1 1 79 79 ALA N N 79 121.156 121.156 121.559 -0.403 19751 6133 1 10 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.116 -0.221 19751 6134 1 10 . 1 1 79 79 ALA C C 79 179.393 179.393 179.028 0.365 19751 6135 1 10 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.279 0.481 19751 6136 1 10 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.390 -1.134 19751 6137 1 10 . 1 1 79 79 ALA H H 79 8.491 8.491 8.725 -0.234 19751 6138 1 10 . 1 1 80 80 THR N N 80 114.097 114.097 112.328 1.769 19751 6139 1 10 . 1 1 80 80 THR HA H 80 4.048 4.048 4.276 -0.228 19751 6140 1 10 . 1 1 80 80 THR C C 80 177.034 177.034 176.385 0.649 19751 6141 1 10 . 1 1 80 80 THR CA C 80 66.139 66.139 65.482 0.657 19751 6142 1 10 . 1 1 80 80 THR CB C 80 69.243 69.243 68.949 0.294 19751 6143 1 10 . 1 1 80 80 THR H H 80 8.111 8.111 7.792 0.319 19751 6144 1 10 . 1 1 81 81 ARG N N 81 121.321 121.321 120.102 1.219 19751 6145 1 10 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.113 -0.170 19751 6146 1 10 . 1 1 81 81 ARG C C 81 177.546 177.546 178.157 -0.611 19751 6147 1 10 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.510 0.530 19751 6148 1 10 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.294 0.429 19751 6149 1 10 . 1 1 81 81 ARG H H 81 7.893 7.893 7.632 0.261 19751 6150 1 10 . 1 1 82 82 HIS N N 82 113.320 113.320 114.395 -1.075 19751 6151 1 10 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.555 0.154 19751 6152 1 10 . 1 1 82 82 HIS C C 82 174.918 174.918 176.343 -1.425 19751 6153 1 10 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.437 -1.275 19751 6154 1 10 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.489 1.019 19751 6155 1 10 . 1 1 82 82 HIS H H 82 7.684 7.684 7.968 -0.284 19751 6156 1 10 . 1 1 83 83 GLY N N 83 109.763 109.763 106.800 2.963 19751 6157 1 10 . 1 1 83 83 GLY C C 83 174.866 174.866 174.092 0.774 19751 6158 1 10 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.970 2.307 19751 6159 1 10 . 1 1 83 83 GLY H H 83 7.707 7.707 7.742 -0.035 19751 6160 1 10 . 1 1 84 84 LEU N N 84 119.225 119.225 119.378 -0.153 19751 6161 1 10 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.522 0.312 19751 6162 1 10 . 1 1 84 84 LEU C C 84 174.880 174.880 176.377 -1.497 19751 6163 1 10 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.123 -1.254 19751 6164 1 10 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.646 2.437 19751 6165 1 10 . 1 1 84 84 LEU H H 84 8.672 8.672 7.307 1.365 19751 6166 1 10 . 1 1 85 85 ASN N N 85 117.042 117.042 116.878 0.164 19751 6167 1 10 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.884 0.284 19751 6168 1 10 . 1 1 85 85 ASN C C 85 175.212 175.212 174.006 1.206 19751 6169 1 10 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.422 -0.564 19751 6170 1 10 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.853 0.029 19751 6171 1 10 . 1 1 85 85 ASN H H 85 8.955 8.955 8.432 0.523 19751 6172 1 10 . 1 1 86 86 PHE N N 86 126.957 126.957 126.880 0.077 19751 6173 1 10 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.471 -0.030 19751 6174 1 10 . 1 1 86 86 PHE C C 86 173.744 173.744 174.922 -1.178 19751 6175 1 10 . 1 1 86 86 PHE CA C 86 58.606 58.606 58.068 0.538 19751 6176 1 10 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.999 0.065 19751 6177 1 10 . 1 1 86 86 PHE H H 86 9.221 9.221 8.965 0.256 19751 6178 1 10 . 1 1 87 87 LYS N N 87 129.305 129.305 128.621 0.684 19751 6179 1 10 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.093 0.258 19751 6180 1 10 . 1 1 87 87 LYS C C 87 175.203 175.203 175.604 -0.401 19751 6181 1 10 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.919 -0.222 19751 6182 1 10 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.804 -0.230 19751 6183 1 10 . 1 1 87 87 LYS H H 87 8.397 8.397 8.831 -0.434 19751 6184 1 10 . 1 1 88 88 GLN N N 88 110.785 110.785 114.593 -3.808 19751 6185 1 10 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.168 0.223 19751 6186 1 10 . 1 1 88 88 GLN C C 88 185.308 185.308 173.072 12.236 19751 6187 1 10 . 1 1 88 88 GLN CA C 88 54.753 54.753 55.104 -0.351 19751 6188 1 10 . 1 1 88 88 GLN H H 88 6.855 6.855 7.568 -0.713 19751 6189 1 10 . 1 1 89 89 SER N N 89 113.927 113.927 115.587 -1.660 19751 6190 1 10 . 1 1 89 89 SER HA H 89 5.298 5.298 5.436 -0.138 19751 6191 1 10 . 1 1 89 89 SER C C 89 173.757 173.757 174.048 -0.291 19751 6192 1 10 . 1 1 89 89 SER CA C 89 56.776 56.776 56.998 -0.222 19751 6193 1 10 . 1 1 89 89 SER CB C 89 67.417 67.417 66.062 1.355 19751 6194 1 10 . 1 1 89 89 SER H H 89 8.718 8.718 8.382 0.336 19751 6195 1 10 . 1 1 90 90 SER N N 90 114.246 114.246 118.603 -4.357 19751 6196 1 10 . 1 1 90 90 SER HA H 90 4.597 4.597 4.657 -0.060 19751 6197 1 10 . 1 1 90 90 SER CA C 90 58.356 58.356 57.684 0.672 19751 6198 1 10 . 1 1 90 90 SER CB C 90 63.952 63.952 62.981 0.971 19751 6199 1 10 . 1 1 90 90 SER H H 90 8.479 8.479 8.277 0.202 19751 6200 1 10 . 1 1 91 91 GLY N N 91 116.101 116.101 116.295 -0.194 19751 6201 1 10 . 1 1 91 91 GLY C C 91 174.853 174.853 174.743 0.110 19751 6202 1 10 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.204 1.951 19751 6203 1 10 . 1 1 91 91 GLY H H 91 8.490 8.490 8.680 -0.190 19751 6204 1 10 . 1 1 92 92 GLY N N 92 107.199 107.199 108.666 -1.467 19751 6205 1 10 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.109 -0.443 19751 6206 1 10 . 1 1 92 92 GLY H H 92 8.914 8.914 7.896 1.018 19751 6207 1 10 . 1 1 93 93 ILE N N 93 118.958 118.958 116.845 2.113 19751 6208 1 10 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.985 -0.247 19751 6209 1 10 . 1 1 93 93 ILE C C 93 175.050 175.050 173.378 1.672 19751 6210 1 10 . 1 1 93 93 ILE CA C 93 58.535 58.535 58.974 -0.439 19751 6211 1 10 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.288 -3.179 19751 6212 1 10 . 1 1 93 93 ILE H H 93 7.540 7.540 7.571 -0.031 19751 6213 1 10 . 1 1 94 94 ALA N N 94 131.032 131.032 128.024 3.008 19751 6214 1 10 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.355 -0.627 19751 6215 1 10 . 1 1 94 94 ALA C C 94 174.512 174.512 177.500 -2.988 19751 6216 1 10 . 1 1 94 94 ALA CA C 94 50.438 50.438 49.919 0.519 19751 6217 1 10 . 1 1 94 94 ALA CB C 94 21.812 21.812 20.017 1.795 19751 6218 1 10 . 1 1 94 94 ALA H H 94 9.561 9.561 9.084 0.477 19751 6219 1 10 . 1 1 95 95 LEU N N 95 123.066 123.066 124.463 -1.397 19751 6220 1 10 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.924 0.039 19751 6221 1 10 . 1 1 95 95 LEU C C 95 174.922 174.922 176.112 -1.190 19751 6222 1 10 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.468 0.048 19751 6223 1 10 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.459 2.746 19751 6224 1 10 . 1 1 95 95 LEU H H 95 8.641 8.641 8.405 0.236 19751 6225 1 10 . 1 1 96 96 LEU N N 96 124.843 124.843 124.680 0.163 19751 6226 1 10 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.952 0.219 19751 6227 1 10 . 1 1 96 96 LEU C C 96 175.059 175.059 177.084 -2.025 19751 6228 1 10 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.746 -1.107 19751 6229 1 10 . 1 1 96 96 LEU CB C 96 44.269 44.269 42.962 1.306 19751 6230 1 10 . 1 1 96 96 LEU H H 96 9.235 9.235 9.000 0.235 19751 6231 1 10 . 1 1 97 97 GLU N N 97 121.306 121.306 120.552 0.754 19751 6232 1 10 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.703 0.156 19751 6233 1 10 . 1 1 97 97 GLU C C 97 175.343 175.343 175.569 -0.226 19751 6234 1 10 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.823 0.268 19751 6235 1 10 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.808 2.607 19751 6236 1 10 . 1 1 97 97 GLU H H 97 9.113 9.113 8.517 0.596 19751 6237 1 10 . 1 1 98 98 ALA N N 98 126.658 126.658 127.945 -1.287 19751 6238 1 10 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.358 0.416 19751 6239 1 10 . 1 1 98 98 ALA C C 98 176.880 176.880 177.162 -0.282 19751 6240 1 10 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.528 -0.933 19751 6241 1 10 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.562 1.821 19751 6242 1 10 . 1 1 98 98 ALA H H 98 8.731 8.731 8.512 0.219 19751 6243 1 10 . 1 1 99 99 LYS N N 99 121.674 121.674 122.721 -1.047 19751 6244 1 10 . 1 1 99 99 LYS H H 99 8.636 8.636 8.176 0.460 19751 6245 1 10 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.240 0.222 19751 6246 1 10 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.456 0.032 19751 6247 1 10 . 1 1 100 100 PRO CB C 100 32.186 32.186 31.235 0.951 19751 6248 1 10 . 1 1 101 101 GLY N N 101 110.695 110.695 115.744 -5.049 19751 6249 1 10 . 1 1 101 101 GLY C C 101 174.676 174.676 174.675 0.001 19751 6250 1 10 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.801 0.382 19751 6251 1 10 . 1 1 101 101 GLY H H 101 8.709 8.709 8.521 0.188 19751 6252 1 10 . 1 1 102 102 THR N N 102 116.771 116.771 118.305 -1.534 19751 6253 1 10 . 1 1 102 102 THR HA H 102 4.134 4.134 4.397 -0.263 19751 6254 1 10 . 1 1 102 102 THR CA C 102 62.998 62.998 62.993 0.005 19751 6255 1 10 . 1 1 102 102 THR CB C 102 69.736 69.736 69.497 0.239 19751 6256 1 10 . 1 1 102 102 THR H H 102 7.652 7.652 7.639 0.013 19751 6257 1 10 . 1 1 103 103 ASP N N 103 125.950 125.950 127.885 -1.935 19751 6258 1 10 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.814 -0.110 19751 6259 1 10 . 1 1 103 103 ASP C C 103 175.907 175.907 177.539 -1.632 19751 6260 1 10 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.830 -1.083 19751 6261 1 10 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.151 0.836 19751 6262 1 10 . 1 1 103 103 ASP H H 103 8.849 8.849 8.718 0.131 19751 6263 1 10 . 1 1 104 104 LEU N N 104 127.195 127.195 121.164 6.031 19751 6264 1 10 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.898 -0.027 19751 6265 1 10 . 1 1 104 104 LEU C C 104 178.528 178.528 177.737 0.791 19751 6266 1 10 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.323 -0.895 19751 6267 1 10 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.312 0.870 19751 6268 1 10 . 1 1 104 104 LEU H H 104 8.464 8.464 7.421 1.043 19751 6269 1 10 . 1 1 105 105 ASN N N 105 116.748 116.748 117.001 -0.253 19751 6270 1 10 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.316 0.021 19751 6271 1 10 . 1 1 105 105 ASN C C 105 177.999 177.999 176.859 1.140 19751 6272 1 10 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.330 0.212 19751 6273 1 10 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.163 0.061 19751 6274 1 10 . 1 1 105 105 ASN H H 105 8.225 8.225 8.479 -0.254 19751 6275 1 10 . 1 1 106 106 ALA N N 106 123.704 123.704 121.679 2.025 19751 6276 1 10 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.253 -0.168 19751 6277 1 10 . 1 1 106 106 ALA C C 106 181.021 181.021 178.928 2.093 19751 6278 1 10 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.404 0.480 19751 6279 1 10 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.804 -0.821 19751 6280 1 10 . 1 1 106 106 ALA H H 106 7.810 7.810 7.684 0.126 19751 6281 1 10 . 1 1 107 107 ILE N N 107 118.676 118.676 119.917 -1.241 19751 6282 1 10 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.539 0.115 19751 6283 1 10 . 1 1 107 107 ILE C C 107 177.324 177.324 178.270 -0.946 19751 6284 1 10 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.320 -0.485 19751 6285 1 10 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.428 0.179 19751 6286 1 10 . 1 1 107 107 ILE H H 107 7.582 7.582 7.132 0.450 19751 6287 1 10 . 1 1 108 108 ALA N N 108 122.550 122.550 122.175 0.375 19751 6288 1 10 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.846 -0.045 19751 6289 1 10 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.384 0.694 19751 6290 1 10 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.878 0.059 19751 6291 1 10 . 1 1 108 108 ALA H H 108 8.551 8.551 7.859 0.692 19751 6292 1 10 . 1 1 109 109 THR N N 109 113.975 113.975 112.700 1.275 19751 6293 1 10 . 1 1 109 109 THR HA H 109 3.806 3.806 3.975 -0.169 19751 6294 1 10 . 1 1 109 109 THR C C 109 176.632 176.632 176.614 0.018 19751 6295 1 10 . 1 1 109 109 THR CA C 109 67.362 67.362 66.672 0.690 19751 6296 1 10 . 1 1 109 109 THR CB C 109 68.554 68.554 68.376 0.178 19751 6297 1 10 . 1 1 109 109 THR H H 109 8.197 8.197 7.840 0.357 19751 6298 1 10 . 1 1 110 110 LYS N N 110 123.603 123.603 119.914 3.689 19751 6299 1 10 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.238 -0.161 19751 6300 1 10 . 1 1 110 110 LYS C C 110 179.640 179.640 177.455 2.185 19751 6301 1 10 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.919 1.446 19751 6302 1 10 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.334 -0.263 19751 6303 1 10 . 1 1 110 110 LYS H H 110 7.656 7.656 7.857 -0.201 19751 6304 1 10 . 1 1 111 111 LEU N N 111 120.492 120.492 118.650 1.842 19751 6305 1 10 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.280 -0.423 19751 6306 1 10 . 1 1 111 111 LEU C C 111 179.289 179.289 178.920 0.369 19751 6307 1 10 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.455 0.660 19751 6308 1 10 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.928 -0.813 19751 6309 1 10 . 1 1 111 111 LEU H H 111 8.441 8.441 7.643 0.798 19751 6310 1 10 . 1 1 112 112 LYS N N 112 120.305 120.305 119.198 1.107 19751 6311 1 10 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.244 0.197 19751 6312 1 10 . 1 1 112 112 LYS C C 112 181.574 181.574 178.729 2.845 19751 6313 1 10 . 1 1 112 112 LYS CA C 112 59.611 59.611 59.090 0.521 19751 6314 1 10 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.890 0.403 19751 6315 1 10 . 1 1 112 112 LYS H H 112 8.452 8.452 8.394 0.058 19751 6316 1 10 . 1 1 113 113 SER N N 113 116.992 116.992 113.738 3.254 19751 6317 1 10 . 1 1 113 113 SER HA H 113 4.389 4.389 4.246 0.143 19751 6318 1 10 . 1 1 113 113 SER C C 113 175.200 175.200 176.070 -0.870 19751 6319 1 10 . 1 1 113 113 SER CA C 113 61.260 61.260 60.471 0.789 19751 6320 1 10 . 1 1 113 113 SER CB C 113 62.863 62.863 63.014 -0.151 19751 6321 1 10 . 1 1 113 113 SER H H 113 7.995 7.995 7.819 0.176 19751 6322 1 10 . 1 1 114 114 GLU N N 114 120.677 120.677 118.182 2.495 19751 6323 1 10 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.341 0.090 19751 6324 1 10 . 1 1 114 114 GLU C C 114 176.506 176.506 176.744 -0.238 19751 6325 1 10 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.677 -0.365 19751 6326 1 10 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.546 -1.149 19751 6327 1 10 . 1 1 114 114 GLU H H 114 7.577 7.577 8.120 -0.543 19751 6328 1 10 . 1 1 115 115 GLY N N 115 107.383 107.383 107.669 -0.286 19751 6329 1 10 . 1 1 115 115 GLY C C 115 174.019 174.019 173.731 0.288 19751 6330 1 10 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.607 0.891 19751 6331 1 10 . 1 1 115 115 GLY H H 115 7.947 7.947 7.772 0.175 19751 6332 1 10 . 1 1 116 116 VAL N N 116 121.389 121.389 119.718 1.671 19751 6333 1 10 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.245 -0.113 19751 6334 1 10 . 1 1 116 116 VAL C C 116 175.092 175.092 174.184 0.908 19751 6335 1 10 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.402 0.675 19751 6336 1 10 . 1 1 116 116 VAL CB C 116 33.043 33.043 34.606 -1.563 19751 6337 1 10 . 1 1 116 116 VAL H H 116 7.704 7.704 7.293 0.411 19751 6338 1 10 . 1 1 117 117 ASN N N 117 125.670 125.670 125.183 0.487 19751 6339 1 10 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.981 -0.187 19751 6340 1 10 . 1 1 117 117 ASN C C 117 173.847 173.847 174.014 -0.167 19751 6341 1 10 . 1 1 117 117 ASN CA C 117 53.204 53.204 52.698 0.506 19751 6342 1 10 . 1 1 117 117 ASN CB C 117 38.001 38.001 39.124 -1.123 19751 6343 1 10 . 1 1 117 117 ASN H H 117 9.161 9.161 8.747 0.414 19751 6344 1 10 . 1 1 118 118 VAL N N 118 121.648 121.648 119.276 2.372 19751 6345 1 10 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.013 0.260 19751 6346 1 10 . 1 1 118 118 VAL C C 118 173.553 173.553 173.971 -0.418 19751 6347 1 10 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.160 -0.655 19751 6348 1 10 . 1 1 118 118 VAL CB C 118 35.089 35.089 34.969 0.119 19751 6349 1 10 . 1 1 118 118 VAL H H 118 7.811 7.811 8.132 -0.321 19751 6350 1 10 . 1 1 119 119 GLN N N 119 124.298 124.298 120.518 3.780 19751 6351 1 10 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.647 0.006 19751 6352 1 10 . 1 1 119 119 GLN C C 119 174.263 174.263 174.103 0.160 19751 6353 1 10 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.243 0.000 19751 6354 1 10 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.648 -0.121 19751 6355 1 10 . 1 1 119 119 GLN H H 119 8.746 8.746 8.274 0.472 19751 6356 1 10 . 1 1 120 120 ILE N N 120 122.997 122.997 126.380 -3.383 19751 6357 1 10 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.311 0.137 19751 6358 1 10 . 1 1 120 120 ILE C C 120 175.616 175.616 175.667 -0.051 19751 6359 1 10 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.727 1.230 19751 6360 1 10 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.392 3.538 19751 6361 1 10 . 1 1 120 120 ILE H H 120 8.670 8.670 8.638 0.032 19751 6362 1 10 . 1 1 121 121 GLU N N 121 128.460 128.460 128.383 0.077 19751 6363 1 10 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.596 -0.101 19751 6364 1 10 . 1 1 121 121 GLU C C 121 175.490 175.490 174.728 0.762 19751 6365 1 10 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.279 1.370 19751 6366 1 10 . 1 1 121 121 GLU CB C 121 31.190 31.190 33.678 -2.488 19751 6367 1 10 . 1 1 121 121 GLU H H 121 8.641 8.641 8.425 0.216 19751 6368 1 10 . 1 1 122 122 LEU N N 122 126.756 126.756 120.100 6.656 19751 6369 1 10 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.683 -0.103 19751 6370 1 10 . 1 1 122 122 LEU C C 122 177.291 177.291 176.481 0.810 19751 6371 1 10 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.365 1.147 19751 6372 1 10 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.398 -1.976 19751 6373 1 10 . 1 1 122 122 LEU H H 122 8.642 8.642 8.369 0.273 19751 6374 1 10 . 1 1 123 123 SER N N 123 117.273 117.273 115.270 2.003 19751 6375 1 10 . 1 1 123 123 SER HA H 123 4.430 4.430 4.594 -0.164 19751 6376 1 10 . 1 1 123 123 SER C C 123 175.066 175.066 174.479 0.587 19751 6377 1 10 . 1 1 123 123 SER CA C 123 58.499 58.499 58.032 0.466 19751 6378 1 10 . 1 1 123 123 SER CB C 123 63.946 63.946 63.237 0.709 19751 6379 1 10 . 1 1 123 123 SER H H 123 8.496 8.496 8.817 -0.321 19751 6380 1 10 . 1 1 124 124 GLY N N 124 111.280 111.280 108.363 2.917 19751 6381 1 10 . 1 1 124 124 GLY C C 124 174.099 174.099 173.781 0.318 19751 6382 1 10 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.121 -0.742 19751 6383 1 10 . 1 1 124 124 GLY H H 124 8.566 8.566 7.978 0.588 19751 6384 1 10 . 1 1 125 125 ALA N N 125 123.586 123.586 122.475 1.111 19751 6385 1 10 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.135 0.172 19751 6386 1 10 . 1 1 125 125 ALA C C 125 177.915 177.915 177.495 0.420 19751 6387 1 10 . 1 1 125 125 ALA CA C 125 52.617 52.617 53.633 -1.016 19751 6388 1 10 . 1 1 125 125 ALA CB C 125 19.308 19.308 18.516 0.792 19751 6389 1 10 . 1 1 125 125 ALA H H 125 8.158 8.158 8.324 -0.166 19751 6390 1 10 . 1 1 126 126 GLU N N 126 120.076 120.076 117.765 2.311 19751 6391 1 10 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.065 0.286 19751 6392 1 10 . 1 1 126 126 GLU C C 126 176.544 176.544 175.150 1.394 19751 6393 1 10 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.902 0.981 19751 6394 1 10 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.173 0.437 19751 6395 1 10 . 1 1 126 126 GLU H H 126 8.524 8.524 8.165 0.359 19751 6396 1 10 . 1 1 127 127 GLN N N 127 121.453 121.453 116.955 4.498 19751 6397 1 10 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.528 -0.221 19751 6398 1 10 . 1 1 127 127 GLN C C 127 175.691 175.691 175.258 0.433 19751 6399 1 10 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.066 0.515 19751 6400 1 10 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.914 -0.211 19751 6401 1 10 . 1 1 127 127 GLN H H 127 8.356 8.356 8.462 -0.106 19751 6402 1 10 . 1 1 128 128 GLN N N 128 122.570 122.570 120.711 1.859 19751 6403 1 10 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.611 -0.026 19751 6404 1 10 . 1 1 128 128 GLN CA C 128 53.744 53.744 54.088 -0.344 19751 6405 1 10 . 1 1 128 128 GLN CB C 128 28.864 28.864 29.158 -0.294 19751 6406 1 10 . 1 1 128 128 GLN H H 128 8.348 8.348 8.402 -0.054 19751 6407 1 10 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.543 -0.142 19751 6408 1 10 . 1 1 129 129 PRO C C 129 175.988 175.988 177.523 -1.535 19751 6409 1 10 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.520 0.929 19751 6410 1 10 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.549 -0.592 19751 6411 1 11 . 1 1 2 2 GLU N N 2 122.196 122.196 122.112 0.084 19751 6412 1 11 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.868 -0.633 19751 6413 1 11 . 1 1 2 2 GLU C C 2 175.712 175.712 175.556 0.156 19751 6414 1 11 . 1 1 2 2 GLU CA C 2 56.632 56.632 55.674 0.958 19751 6415 1 11 . 1 1 2 2 GLU CB C 2 29.971 29.971 31.387 -1.416 19751 6416 1 11 . 1 1 2 2 GLU H H 2 8.617 8.617 8.589 0.028 19751 6417 1 11 . 1 1 3 3 SER N N 3 116.623 116.623 116.773 -0.150 19751 6418 1 11 . 1 1 3 3 SER HA H 3 4.597 4.597 4.800 -0.203 19751 6419 1 11 . 1 1 3 3 SER C C 3 174.294 174.294 175.533 -1.239 19751 6420 1 11 . 1 1 3 3 SER CA C 3 58.386 58.386 57.638 0.749 19751 6421 1 11 . 1 1 3 3 SER CB C 3 64.039 64.039 64.585 -0.547 19751 6422 1 11 . 1 1 3 3 SER H H 3 8.305 8.305 8.569 -0.264 19751 6423 1 11 . 1 1 4 4 VAL N N 4 121.759 121.759 125.716 -3.957 19751 6424 1 11 . 1 1 4 4 VAL HA H 4 4.309 4.309 3.869 0.440 19751 6425 1 11 . 1 1 4 4 VAL C C 4 176.177 176.177 175.930 0.247 19751 6426 1 11 . 1 1 4 4 VAL CA C 4 61.709 61.709 63.201 -1.492 19751 6427 1 11 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.101 1.254 19751 6428 1 11 . 1 1 4 4 VAL H H 4 8.303 8.303 8.637 -0.334 19751 6429 1 11 . 1 1 5 5 THR N N 5 118.335 118.335 113.580 4.755 19751 6430 1 11 . 1 1 5 5 THR HA H 5 4.592 4.592 4.115 0.477 19751 6431 1 11 . 1 1 5 5 THR C C 5 173.579 173.579 173.888 -0.309 19751 6432 1 11 . 1 1 5 5 THR CA C 5 62.022 62.022 63.226 -1.204 19751 6433 1 11 . 1 1 5 5 THR CB C 5 70.047 70.047 67.963 2.084 19751 6434 1 11 . 1 1 5 5 THR H H 5 8.319 8.319 8.033 0.286 19751 6435 1 11 . 1 1 6 6 MET N N 6 123.858 123.858 120.206 3.652 19751 6436 1 11 . 1 1 6 6 MET CA C 6 57.260 57.260 54.794 2.466 19751 6437 1 11 . 1 1 6 6 MET CB C 6 33.780 33.780 31.929 1.851 19751 6438 1 11 . 1 1 6 6 MET H H 6 8.035 8.035 7.950 0.085 19751 6439 1 11 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.441 0.056 19751 6440 1 11 . 1 1 7 7 ASP CA C 7 55.150 55.150 55.520 -0.370 19751 6441 1 11 . 1 1 7 7 ASP CB C 7 41.264 41.264 41.163 0.101 19751 6442 1 11 . 1 1 8 8 GLY N N 8 114.130 114.130 107.632 6.498 19751 6443 1 11 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.505 1.108 19751 6444 1 11 . 1 1 8 8 GLY H H 8 8.386 8.386 8.100 0.286 19751 6445 1 11 . 1 1 9 9 LYS N N 9 120.803 120.803 121.766 -0.963 19751 6446 1 11 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.402 -0.058 19751 6447 1 11 . 1 1 9 9 LYS H H 9 8.021 8.021 8.181 -0.160 19751 6448 1 11 . 1 1 10 10 GLN N N 10 120.522 120.522 121.951 -1.429 19751 6449 1 11 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.380 0.087 19751 6450 1 11 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.066 0.215 19751 6451 1 11 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.367 0.042 19751 6452 1 11 . 1 1 10 10 GLN H H 10 8.246 8.246 8.204 0.042 19751 6453 1 11 . 1 1 11 11 TYR N N 11 121.213 121.213 121.032 0.181 19751 6454 1 11 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.796 -0.497 19751 6455 1 11 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.389 -0.440 19751 6456 1 11 . 1 1 11 11 TYR CB C 11 43.274 43.274 39.920 3.354 19751 6457 1 11 . 1 1 11 11 TYR H H 11 8.873 8.873 8.455 0.418 19751 6458 1 11 . 1 1 12 12 SER N N 12 117.406 117.406 117.703 -0.297 19751 6459 1 11 . 1 1 12 12 SER HA H 12 4.715 4.715 4.708 0.007 19751 6460 1 11 . 1 1 12 12 SER CA C 12 57.374 57.374 57.583 -0.209 19751 6461 1 11 . 1 1 12 12 SER CB C 12 63.946 63.946 65.110 -1.164 19751 6462 1 11 . 1 1 12 12 SER H H 12 9.047 9.047 8.474 0.573 19751 6463 1 11 . 1 1 13 13 THR N N 13 112.091 112.091 117.182 -5.091 19751 6464 1 11 . 1 1 13 13 THR HA H 13 4.929 4.929 4.562 0.367 19751 6465 1 11 . 1 1 13 13 THR CA C 13 60.716 60.716 61.763 -1.047 19751 6466 1 11 . 1 1 13 13 THR CB C 13 71.808 71.808 70.792 1.016 19751 6467 1 11 . 1 1 13 13 THR H H 13 8.235 8.235 8.345 -0.110 19751 6468 1 11 . 1 1 14 14 ILE N N 14 120.891 120.891 123.598 -2.707 19751 6469 1 11 . 1 1 14 14 ILE H H 14 9.108 9.108 8.296 0.812 19751 6470 1 11 . 1 1 15 15 GLU N N 15 127.598 127.598 126.675 0.923 19751 6471 1 11 . 1 1 15 15 GLU H H 15 8.300 8.300 8.363 -0.062 19751 6472 1 11 . 1 1 16 16 VAL N N 16 126.224 126.224 121.528 4.696 19751 6473 1 11 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.113 0.171 19751 6474 1 11 . 1 1 16 16 VAL CA C 16 61.835 61.835 62.026 -0.191 19751 6475 1 11 . 1 1 16 16 VAL CB C 16 34.896 34.896 32.512 2.384 19751 6476 1 11 . 1 1 16 16 VAL H H 16 9.320 9.320 8.482 0.838 19751 6477 1 11 . 1 1 17 17 ASN N N 17 123.394 123.394 125.665 -2.271 19751 6478 1 11 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.398 0.766 19751 6479 1 11 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.840 -0.291 19751 6480 1 11 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.471 -0.256 19751 6481 1 11 . 1 1 17 17 ASN H H 17 9.310 9.310 9.259 0.051 19751 6482 1 11 . 1 1 18 18 GLY H H 18 9.024 9.024 8.227 0.797 19751 6483 1 11 . 1 1 19 19 GLN N N 19 119.994 119.994 119.936 0.058 19751 6484 1 11 . 1 1 19 19 GLN H H 19 7.990 7.990 7.757 0.233 19751 6485 1 11 . 1 1 20 20 THR N N 20 117.472 117.472 120.914 -3.442 19751 6486 1 11 . 1 1 20 20 THR HA H 20 4.384 4.384 4.169 0.215 19751 6487 1 11 . 1 1 20 20 THR CA C 20 63.334 63.334 62.610 0.724 19751 6488 1 11 . 1 1 20 20 THR CB C 20 69.401 69.401 67.917 1.484 19751 6489 1 11 . 1 1 20 20 THR H H 20 8.401 8.401 8.309 0.092 19751 6490 1 11 . 1 1 21 21 TYR N N 21 126.847 126.847 125.454 1.393 19751 6491 1 11 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.803 -0.641 19751 6492 1 11 . 1 1 21 21 TYR CA C 21 57.487 57.487 56.392 1.095 19751 6493 1 11 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.635 3.695 19751 6494 1 11 . 1 1 21 21 TYR H H 21 9.367 9.367 7.657 1.710 19751 6495 1 11 . 1 1 22 22 LEU N N 22 118.537 118.537 120.238 -1.701 19751 6496 1 11 . 1 1 22 22 LEU HA H 22 4.192 4.192 5.002 -0.810 19751 6497 1 11 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.161 2.761 19751 6498 1 11 . 1 1 22 22 LEU CB C 22 43.212 43.212 43.694 -0.481 19751 6499 1 11 . 1 1 22 22 LEU H H 22 9.060 9.060 8.444 0.616 19751 6500 1 11 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.532 -0.141 19751 6501 1 11 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.757 0.577 19751 6502 1 11 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.469 -0.329 19751 6503 1 11 . 1 1 25 25 ASP N N 25 121.554 121.554 120.575 0.979 19751 6504 1 11 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.810 -0.218 19751 6505 1 11 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.568 0.740 19751 6506 1 11 . 1 1 25 25 ASP CB C 25 41.087 41.087 40.998 0.089 19751 6507 1 11 . 1 1 25 25 ASP H H 25 8.324 8.324 8.550 -0.226 19751 6508 1 11 . 1 1 26 26 ASN HA H 26 4.739 4.739 5.033 -0.294 19751 6509 1 11 . 1 1 26 26 ASN CA C 26 52.656 52.656 52.951 -0.295 19751 6510 1 11 . 1 1 26 26 ASN CB C 26 39.132 39.132 40.023 -0.891 19751 6511 1 11 . 1 1 27 27 GLY N N 27 109.206 109.206 109.600 -0.394 19751 6512 1 11 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.759 0.655 19751 6513 1 11 . 1 1 27 27 GLY H H 27 8.494 8.494 8.465 0.029 19751 6514 1 11 . 1 1 28 28 SER N N 28 116.238 116.238 118.354 -2.116 19751 6515 1 11 . 1 1 28 28 SER HA H 28 4.384 4.384 4.616 -0.232 19751 6516 1 11 . 1 1 28 28 SER CA C 28 60.226 60.226 58.512 1.714 19751 6517 1 11 . 1 1 28 28 SER CB C 28 63.818 63.818 63.826 -0.008 19751 6518 1 11 . 1 1 28 28 SER H H 28 8.372 8.372 8.200 0.172 19751 6519 1 11 . 1 1 29 29 LYS N N 29 121.905 121.905 126.686 -4.781 19751 6520 1 11 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.440 -0.109 19751 6521 1 11 . 1 1 29 29 LYS CA C 29 56.353 56.353 56.016 0.337 19751 6522 1 11 . 1 1 29 29 LYS CB C 29 33.347 33.347 32.780 0.567 19751 6523 1 11 . 1 1 29 29 LYS H H 29 8.027 8.027 8.470 -0.443 19751 6524 1 11 . 1 1 30 30 LYS N N 30 122.663 122.663 123.858 -1.195 19751 6525 1 11 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.363 -0.069 19751 6526 1 11 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.779 0.435 19751 6527 1 11 . 1 1 30 30 LYS CB C 30 33.171 33.171 31.725 1.446 19751 6528 1 11 . 1 1 30 30 LYS H H 30 8.223 8.223 8.475 -0.252 19751 6529 1 11 . 1 1 31 31 ARG N N 31 123.469 123.469 123.446 0.023 19751 6530 1 11 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.619 -0.264 19751 6531 1 11 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.590 0.705 19751 6532 1 11 . 1 1 31 31 ARG CB C 31 31.854 31.854 30.686 1.168 19751 6533 1 11 . 1 1 31 31 ARG H H 31 8.404 8.404 7.939 0.465 19751 6534 1 11 . 1 1 32 32 VAL N N 32 122.456 122.456 123.367 -0.911 19751 6535 1 11 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.337 -0.094 19751 6536 1 11 . 1 1 32 32 VAL CA C 32 62.316 62.316 62.073 0.243 19751 6537 1 11 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.275 -0.412 19751 6538 1 11 . 1 1 32 32 VAL H H 32 8.214 8.214 8.430 -0.216 19751 6539 1 11 . 1 1 33 33 ALA N N 33 127.685 127.685 128.481 -0.796 19751 6540 1 11 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.626 -0.324 19751 6541 1 11 . 1 1 33 33 ALA CA C 33 52.617 52.617 52.090 0.527 19751 6542 1 11 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.171 -0.863 19751 6543 1 11 . 1 1 33 33 ALA H H 33 8.374 8.374 8.168 0.206 19751 6544 1 11 . 1 1 34 34 ARG N N 34 119.922 119.922 121.976 -2.054 19751 6545 1 11 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.841 -0.518 19751 6546 1 11 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.540 1.280 19751 6547 1 11 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.200 -1.040 19751 6548 1 11 . 1 1 34 34 ARG H H 34 8.652 8.652 8.844 -0.192 19751 6549 1 11 . 1 1 35 35 SER N N 35 116.881 116.881 119.399 -2.518 19751 6550 1 11 . 1 1 35 35 SER HA H 35 4.543 4.543 4.565 -0.022 19751 6551 1 11 . 1 1 35 35 SER CA C 35 58.440 58.440 57.856 0.584 19751 6552 1 11 . 1 1 35 35 SER CB C 35 64.094 64.094 64.293 -0.199 19751 6553 1 11 . 1 1 35 35 SER H H 35 8.359 8.359 8.583 -0.224 19751 6554 1 11 . 1 1 36 36 LEU N N 36 124.595 124.595 125.804 -1.209 19751 6555 1 11 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.552 -0.179 19751 6556 1 11 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.676 -0.082 19751 6557 1 11 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.355 -1.077 19751 6558 1 11 . 1 1 36 36 LEU H H 36 8.546 8.546 8.169 0.377 19751 6559 1 11 . 1 1 37 37 ASP N N 37 119.422 119.422 123.533 -4.111 19751 6560 1 11 . 1 1 37 37 ASP HA H 37 4.592 4.592 4.903 -0.311 19751 6561 1 11 . 1 1 37 37 ASP CA C 37 54.308 54.308 54.453 -0.145 19751 6562 1 11 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.133 -0.951 19751 6563 1 11 . 1 1 37 37 ASP H H 37 8.186 8.186 8.488 -0.302 19751 6564 1 11 . 1 1 38 38 SER N N 38 116.413 116.413 117.179 -0.766 19751 6565 1 11 . 1 1 38 38 SER HA H 38 4.450 4.450 4.678 -0.228 19751 6566 1 11 . 1 1 38 38 SER CA C 38 58.499 58.499 58.580 -0.081 19751 6567 1 11 . 1 1 38 38 SER CB C 38 63.818 63.818 63.785 0.033 19751 6568 1 11 . 1 1 38 38 SER H H 38 8.177 8.177 8.201 -0.024 19751 6569 1 11 . 1 1 39 39 LYS N N 39 123.095 123.095 124.175 -1.080 19751 6570 1 11 . 1 1 39 39 LYS HA H 39 4.337 4.337 5.016 -0.679 19751 6571 1 11 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.253 1.426 19751 6572 1 11 . 1 1 39 39 LYS CB C 39 32.232 32.232 34.045 -1.813 19751 6573 1 11 . 1 1 39 39 LYS H H 39 8.379 8.379 8.408 -0.029 19751 6574 1 11 . 1 1 40 40 VAL N N 40 122.475 122.475 121.433 1.042 19751 6575 1 11 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.474 -0.086 19751 6576 1 11 . 1 1 40 40 VAL CA C 40 60.161 60.161 60.620 -0.459 19751 6577 1 11 . 1 1 40 40 VAL CB C 40 32.615 32.615 31.471 1.145 19751 6578 1 11 . 1 1 40 40 VAL H H 40 8.069 8.069 8.475 -0.406 19751 6579 1 11 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.737 -0.316 19751 6580 1 11 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.100 -0.342 19751 6581 1 11 . 1 1 41 41 PRO CB C 41 32.307 32.307 32.772 -0.465 19751 6582 1 11 . 1 1 42 42 GLN N N 42 121.230 121.230 117.198 4.032 19751 6583 1 11 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.466 -0.187 19751 6584 1 11 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.512 0.516 19751 6585 1 11 . 1 1 42 42 GLN CB C 42 29.719 29.719 29.589 0.130 19751 6586 1 11 . 1 1 42 42 GLN H H 42 8.482 8.482 8.201 0.281 19751 6587 1 11 . 1 1 43 43 GLN N N 43 121.831 121.831 121.488 0.343 19751 6588 1 11 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.905 -0.516 19751 6589 1 11 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.911 0.013 19751 6590 1 11 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.840 -1.311 19751 6591 1 11 . 1 1 43 43 GLN H H 43 8.506 8.506 8.984 -0.478 19751 6592 1 11 . 1 1 44 44 THR N N 44 116.251 116.251 119.602 -3.351 19751 6593 1 11 . 1 1 44 44 THR HA H 44 4.302 4.302 4.769 -0.467 19751 6594 1 11 . 1 1 44 44 THR CA C 44 61.922 61.922 61.773 0.149 19751 6595 1 11 . 1 1 44 44 THR CB C 44 69.811 69.811 70.035 -0.224 19751 6596 1 11 . 1 1 44 44 THR H H 44 8.231 8.231 8.378 -0.147 19751 6597 1 11 . 1 1 45 45 LEU N N 45 125.046 125.046 121.676 3.370 19751 6598 1 11 . 1 1 45 45 LEU HA H 45 4.498 4.498 5.253 -0.755 19751 6599 1 11 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.214 0.893 19751 6600 1 11 . 1 1 45 45 LEU CB C 45 42.812 42.812 44.559 -1.747 19751 6601 1 11 . 1 1 45 45 LEU H H 45 8.257 8.257 8.370 -0.113 19751 6602 1 11 . 1 1 46 46 ARG N N 46 120.522 120.522 121.164 -0.642 19751 6603 1 11 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.096 -0.863 19751 6604 1 11 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.103 1.361 19751 6605 1 11 . 1 1 46 46 ARG CB C 46 29.971 29.971 33.261 -3.290 19751 6606 1 11 . 1 1 46 46 ARG H H 46 8.007 8.007 9.167 -1.160 19751 6607 1 11 . 1 1 47 47 ARG N N 47 121.010 121.010 118.781 2.229 19751 6608 1 11 . 1 1 47 47 ARG H H 47 8.324 8.324 9.004 -0.680 19751 6609 1 11 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.944 0.396 19751 6610 1 11 . 1 1 49 49 ASP N N 49 120.513 120.513 122.071 -1.558 19751 6611 1 11 . 1 1 49 49 ASP HA H 49 4.619 4.619 5.204 -0.585 19751 6612 1 11 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.583 0.747 19751 6613 1 11 . 1 1 49 49 ASP CB C 49 41.163 41.163 44.022 -2.859 19751 6614 1 11 . 1 1 49 49 ASP H H 49 8.225 8.225 8.747 -0.522 19751 6615 1 11 . 1 1 50 50 VAL N N 50 119.718 119.718 123.632 -3.914 19751 6616 1 11 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.260 -0.188 19751 6617 1 11 . 1 1 50 50 VAL CA C 50 62.402 62.402 62.549 -0.147 19751 6618 1 11 . 1 1 50 50 VAL CB C 50 32.794 32.794 32.886 -0.092 19751 6619 1 11 . 1 1 50 50 VAL H H 50 8.024 8.024 8.460 -0.436 19751 6620 1 11 . 1 1 51 51 LEU N N 51 125.249 125.249 125.719 -0.470 19751 6621 1 11 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.766 -0.420 19751 6622 1 11 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.582 -0.212 19751 6623 1 11 . 1 1 51 51 LEU CB C 51 42.379 42.379 44.109 -1.730 19751 6624 1 11 . 1 1 51 51 LEU H H 51 8.305 8.305 8.404 -0.099 19751 6625 1 11 . 1 1 52 52 MET HA H 52 4.458 4.458 4.868 -0.410 19751 6626 1 11 . 1 1 52 52 MET CA C 52 55.417 55.417 54.569 0.848 19751 6627 1 11 . 1 1 52 52 MET CB C 52 32.264 32.264 35.650 -3.385 19751 6628 1 11 . 1 1 53 53 GLN N N 53 121.447 121.447 120.585 0.862 19751 6629 1 11 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.232 -0.925 19751 6630 1 11 . 1 1 53 53 GLN CA C 53 56.214 56.214 54.758 1.456 19751 6631 1 11 . 1 1 53 53 GLN CB C 53 29.697 29.697 32.088 -2.391 19751 6632 1 11 . 1 1 53 53 GLN H H 53 8.373 8.373 9.073 -0.700 19751 6633 1 11 . 1 1 54 54 GLY N N 54 110.484 110.484 107.659 2.825 19751 6634 1 11 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.094 0.156 19751 6635 1 11 . 1 1 54 54 GLY H H 54 8.456 8.456 9.023 -0.567 19751 6636 1 11 . 1 1 55 55 ALA N N 55 123.673 123.673 123.392 0.281 19751 6637 1 11 . 1 1 55 55 ALA HA H 55 4.307 4.307 5.387 -1.080 19751 6638 1 11 . 1 1 55 55 ALA C C 55 177.397 177.397 177.155 0.242 19751 6639 1 11 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.414 0.203 19751 6640 1 11 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.345 -1.037 19751 6641 1 11 . 1 1 55 55 ALA H H 55 8.113 8.113 10.529 -2.416 19751 6642 1 11 . 1 1 56 56 ALA N N 56 123.295 123.295 125.875 -2.580 19751 6643 1 11 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.048 -0.745 19751 6644 1 11 . 1 1 56 56 ALA C C 56 177.446 177.446 176.488 0.958 19751 6645 1 11 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.215 0.218 19751 6646 1 11 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.133 -0.825 19751 6647 1 11 . 1 1 56 56 ALA H H 56 8.297 8.297 9.132 -0.835 19751 6648 1 11 . 1 1 57 57 SER N N 57 116.534 116.534 118.685 -2.151 19751 6649 1 11 . 1 1 57 57 SER HA H 57 4.737 4.737 5.300 -0.563 19751 6650 1 11 . 1 1 57 57 SER CA C 57 56.332 56.332 56.824 -0.492 19751 6651 1 11 . 1 1 57 57 SER CB C 57 63.567 63.567 64.741 -1.174 19751 6652 1 11 . 1 1 57 57 SER H H 57 8.258 8.258 8.719 -0.461 19751 6653 1 11 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.838 -0.436 19751 6654 1 11 . 1 1 58 58 PRO C C 58 176.874 176.874 175.309 1.565 19751 6655 1 11 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.075 0.282 19751 6656 1 11 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.509 -0.474 19751 6657 1 11 . 1 1 59 59 GLU N N 59 120.545 120.545 117.883 2.662 19751 6658 1 11 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.462 -0.226 19751 6659 1 11 . 1 1 59 59 GLU C C 59 176.383 176.383 174.112 2.271 19751 6660 1 11 . 1 1 59 59 GLU CA C 59 56.575 56.575 56.226 0.349 19751 6661 1 11 . 1 1 59 59 GLU CB C 59 30.103 30.103 30.866 -0.763 19751 6662 1 11 . 1 1 59 59 GLU H H 59 8.556 8.556 8.341 0.215 19751 6663 1 11 . 1 1 60 60 LEU N N 60 122.946 122.946 122.143 0.803 19751 6664 1 11 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.709 -0.265 19751 6665 1 11 . 1 1 60 60 LEU C C 60 177.201 177.201 174.490 2.711 19751 6666 1 11 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.691 0.429 19751 6667 1 11 . 1 1 60 60 LEU CB C 60 42.288 42.288 44.315 -2.027 19751 6668 1 11 . 1 1 60 60 LEU H H 60 8.205 8.205 8.335 -0.130 19751 6669 1 11 . 1 1 61 61 THR N N 61 115.168 115.168 119.587 -4.419 19751 6670 1 11 . 1 1 61 61 THR HA H 61 4.380 4.380 4.695 -0.315 19751 6671 1 11 . 1 1 61 61 THR C C 61 174.201 174.201 172.746 1.455 19751 6672 1 11 . 1 1 61 61 THR CA C 61 61.792 61.792 62.093 -0.301 19751 6673 1 11 . 1 1 61 61 THR CB C 61 69.770 69.770 69.310 0.460 19751 6674 1 11 . 1 1 61 61 THR H H 61 8.149 8.149 8.404 -0.255 19751 6675 1 11 . 1 1 62 62 VAL N N 62 121.650 121.650 126.582 -4.932 19751 6676 1 11 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.330 -0.011 19751 6677 1 11 . 1 1 62 62 VAL C C 62 175.921 175.921 173.287 2.634 19751 6678 1 11 . 1 1 62 62 VAL CA C 62 61.709 61.709 61.382 0.327 19751 6679 1 11 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.181 -0.826 19751 6680 1 11 . 1 1 62 62 VAL H H 62 8.091 8.091 8.412 -0.321 19751 6681 1 11 . 1 1 63 63 SER N N 63 120.076 120.076 120.564 -0.488 19751 6682 1 11 . 1 1 63 63 SER HA H 63 4.542 4.542 4.751 -0.209 19751 6683 1 11 . 1 1 63 63 SER C C 63 174.254 174.254 172.981 1.273 19751 6684 1 11 . 1 1 63 63 SER CA C 63 58.375 58.375 57.641 0.734 19751 6685 1 11 . 1 1 63 63 SER CB C 63 64.196 64.196 64.346 -0.150 19751 6686 1 11 . 1 1 63 63 SER H H 63 8.524 8.524 8.356 0.168 19751 6687 1 11 . 1 1 64 64 GLY N N 64 109.912 109.912 112.063 -2.151 19751 6688 1 11 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.626 -0.242 19751 6689 1 11 . 1 1 64 64 GLY H H 64 8.255 8.255 8.651 -0.396 19751 6690 1 11 . 1 1 65 65 THR N N 65 114.200 114.200 115.333 -1.133 19751 6691 1 11 . 1 1 65 65 THR HA H 65 4.929 4.929 5.192 -0.263 19751 6692 1 11 . 1 1 65 65 THR CA C 65 60.826 60.826 61.403 -0.577 19751 6693 1 11 . 1 1 65 65 THR CB C 65 71.805 71.805 72.338 -0.533 19751 6694 1 11 . 1 1 65 65 THR H H 65 8.468 8.468 8.212 0.256 19751 6695 1 11 . 1 1 66 66 LEU N N 66 122.673 122.673 122.645 0.028 19751 6696 1 11 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.795 0.126 19751 6697 1 11 . 1 1 66 66 LEU C C 66 174.364 174.364 174.571 -0.207 19751 6698 1 11 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.693 -1.283 19751 6699 1 11 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.642 -1.192 19751 6700 1 11 . 1 1 66 66 LEU H H 66 9.054 9.054 8.461 0.593 19751 6701 1 11 . 1 1 67 67 LEU N N 67 124.219 124.219 126.603 -2.384 19751 6702 1 11 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.854 0.354 19751 6703 1 11 . 1 1 67 67 LEU C C 67 177.107 177.107 175.959 1.148 19751 6704 1 11 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.233 -0.460 19751 6705 1 11 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.319 0.887 19751 6706 1 11 . 1 1 67 67 LEU H H 67 8.927 8.927 9.232 -0.305 19751 6707 1 11 . 1 1 68 68 VAL N N 68 121.113 121.113 125.585 -4.472 19751 6708 1 11 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.188 0.668 19751 6709 1 11 . 1 1 68 68 VAL C C 68 174.079 174.079 174.359 -0.280 19751 6710 1 11 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.499 -0.641 19751 6711 1 11 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.830 0.185 19751 6712 1 11 . 1 1 68 68 VAL H H 68 9.345 9.345 8.791 0.554 19751 6713 1 11 . 1 1 69 69 GLU N N 69 127.682 127.682 130.593 -2.911 19751 6714 1 11 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.697 0.202 19751 6715 1 11 . 1 1 69 69 GLU C C 69 173.485 173.485 174.914 -1.429 19751 6716 1 11 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.321 -0.974 19751 6717 1 11 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.893 0.078 19751 6718 1 11 . 1 1 69 69 GLU H H 69 8.110 8.110 8.707 -0.597 19751 6719 1 11 . 1 1 70 70 ALA N N 70 130.042 130.042 128.137 1.905 19751 6720 1 11 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.603 -0.039 19751 6721 1 11 . 1 1 70 70 ALA C C 70 174.853 174.853 175.460 -0.607 19751 6722 1 11 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.335 0.369 19751 6723 1 11 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.063 0.368 19751 6724 1 11 . 1 1 70 70 ALA H H 70 7.991 7.991 7.644 0.347 19751 6725 1 11 . 1 1 71 71 ASP N N 71 117.021 117.021 119.547 -2.526 19751 6726 1 11 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.606 -0.026 19751 6727 1 11 . 1 1 71 71 ASP C C 71 175.160 175.160 176.778 -1.618 19751 6728 1 11 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.592 -0.549 19751 6729 1 11 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.710 -1.788 19751 6730 1 11 . 1 1 71 71 ASP H H 71 8.025 8.025 8.394 -0.369 19751 6731 1 11 . 1 1 72 72 ASP N N 72 119.867 119.867 120.374 -0.507 19751 6732 1 11 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.798 0.325 19751 6733 1 11 . 1 1 72 72 ASP C C 72 177.598 177.598 177.437 0.161 19751 6734 1 11 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.294 1.163 19751 6735 1 11 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.600 -0.611 19751 6736 1 11 . 1 1 72 72 ASP H H 72 8.644 8.644 8.769 -0.125 19751 6737 1 11 . 1 1 73 73 ALA N N 73 120.735 120.735 120.783 -0.048 19751 6738 1 11 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.053 -0.101 19751 6739 1 11 . 1 1 73 73 ALA C C 73 181.711 181.711 179.529 2.182 19751 6740 1 11 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.730 0.627 19751 6741 1 11 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.255 -0.434 19751 6742 1 11 . 1 1 73 73 ALA H H 73 8.212 8.212 8.423 -0.211 19751 6743 1 11 . 1 1 74 74 SER N N 74 116.971 116.971 113.452 3.519 19751 6744 1 11 . 1 1 74 74 SER HA H 74 4.207 4.207 4.288 -0.081 19751 6745 1 11 . 1 1 74 74 SER C C 74 176.918 176.918 176.184 0.734 19751 6746 1 11 . 1 1 74 74 SER CA C 74 61.632 61.632 60.702 0.930 19751 6747 1 11 . 1 1 74 74 SER CB C 74 62.233 62.233 63.400 -1.167 19751 6748 1 11 . 1 1 74 74 SER H H 74 8.376 8.376 7.375 1.001 19751 6749 1 11 . 1 1 75 75 ALA N N 75 124.844 124.844 125.318 -0.474 19751 6750 1 11 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.744 0.078 19751 6751 1 11 . 1 1 75 75 ALA C C 75 179.160 179.160 178.859 0.301 19751 6752 1 11 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.246 0.055 19751 6753 1 11 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.467 1.045 19751 6754 1 11 . 1 1 75 75 ALA H H 75 9.121 9.121 7.967 1.154 19751 6755 1 11 . 1 1 76 76 LYS N N 76 117.821 117.821 117.429 0.392 19751 6756 1 11 . 1 1 76 76 LYS HA H 76 3.805 3.805 4.016 -0.211 19751 6757 1 11 . 1 1 76 76 LYS C C 76 179.175 179.175 178.495 0.680 19751 6758 1 11 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.190 0.949 19751 6759 1 11 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.910 0.452 19751 6760 1 11 . 1 1 76 76 LYS H H 76 8.306 8.306 7.758 0.548 19751 6761 1 11 . 1 1 77 77 ALA N N 77 122.703 122.703 121.871 0.832 19751 6762 1 11 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.161 0.029 19751 6763 1 11 . 1 1 77 77 ALA C C 77 180.868 180.868 179.726 1.142 19751 6764 1 11 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.531 0.621 19751 6765 1 11 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.155 -0.323 19751 6766 1 11 . 1 1 77 77 ALA H H 77 7.584 7.584 7.543 0.041 19751 6767 1 11 . 1 1 78 78 LEU N N 78 120.574 120.574 118.714 1.860 19751 6768 1 11 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.104 -0.068 19751 6769 1 11 . 1 1 78 78 LEU C C 78 178.870 178.870 179.121 -0.251 19751 6770 1 11 . 1 1 78 78 LEU CA C 78 57.888 57.888 57.114 0.774 19751 6771 1 11 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.967 0.512 19751 6772 1 11 . 1 1 78 78 LEU H H 78 8.338 8.338 7.848 0.490 19751 6773 1 11 . 1 1 79 79 ALA N N 79 121.156 121.156 121.180 -0.024 19751 6774 1 11 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.123 -0.228 19751 6775 1 11 . 1 1 79 79 ALA C C 79 179.393 179.393 178.983 0.410 19751 6776 1 11 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.229 0.531 19751 6777 1 11 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.394 -1.138 19751 6778 1 11 . 1 1 79 79 ALA H H 79 8.491 8.491 8.361 0.130 19751 6779 1 11 . 1 1 80 80 THR N N 80 114.097 114.097 112.185 1.912 19751 6780 1 11 . 1 1 80 80 THR HA H 80 4.048 4.048 4.275 -0.227 19751 6781 1 11 . 1 1 80 80 THR C C 80 177.034 177.034 176.336 0.698 19751 6782 1 11 . 1 1 80 80 THR CA C 80 66.139 66.139 65.387 0.752 19751 6783 1 11 . 1 1 80 80 THR CB C 80 69.243 69.243 68.928 0.315 19751 6784 1 11 . 1 1 80 80 THR H H 80 8.111 8.111 7.666 0.445 19751 6785 1 11 . 1 1 81 81 ARG N N 81 121.321 121.321 120.110 1.211 19751 6786 1 11 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.111 -0.168 19751 6787 1 11 . 1 1 81 81 ARG C C 81 177.546 177.546 178.157 -0.611 19751 6788 1 11 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.490 0.550 19751 6789 1 11 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.284 0.439 19751 6790 1 11 . 1 1 81 81 ARG H H 81 7.893 7.893 7.564 0.329 19751 6791 1 11 . 1 1 82 82 HIS N N 82 113.320 113.320 114.431 -1.111 19751 6792 1 11 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.522 0.187 19751 6793 1 11 . 1 1 82 82 HIS C C 82 174.918 174.918 175.958 -1.040 19751 6794 1 11 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.577 -1.415 19751 6795 1 11 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.389 1.119 19751 6796 1 11 . 1 1 82 82 HIS H H 82 7.684 7.684 7.899 -0.215 19751 6797 1 11 . 1 1 83 83 GLY N N 83 109.763 109.763 105.796 3.967 19751 6798 1 11 . 1 1 83 83 GLY C C 83 174.866 174.866 174.254 0.612 19751 6799 1 11 . 1 1 83 83 GLY CA C 83 47.277 47.277 45.020 2.257 19751 6800 1 11 . 1 1 83 83 GLY H H 83 7.707 7.707 7.617 0.090 19751 6801 1 11 . 1 1 84 84 LEU N N 84 119.225 119.225 119.061 0.164 19751 6802 1 11 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.592 0.242 19751 6803 1 11 . 1 1 84 84 LEU C C 84 174.880 174.880 176.446 -1.566 19751 6804 1 11 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.007 -1.138 19751 6805 1 11 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.853 2.230 19751 6806 1 11 . 1 1 84 84 LEU H H 84 8.672 8.672 7.347 1.325 19751 6807 1 11 . 1 1 85 85 ASN N N 85 117.042 117.042 117.631 -0.589 19751 6808 1 11 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.887 0.281 19751 6809 1 11 . 1 1 85 85 ASN C C 85 175.212 175.212 174.169 1.043 19751 6810 1 11 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.138 -0.280 19751 6811 1 11 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.822 0.060 19751 6812 1 11 . 1 1 85 85 ASN H H 85 8.955 8.955 8.370 0.585 19751 6813 1 11 . 1 1 86 86 PHE N N 86 126.957 126.957 127.400 -0.443 19751 6814 1 11 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.480 -0.039 19751 6815 1 11 . 1 1 86 86 PHE C C 86 173.744 173.744 174.756 -1.012 19751 6816 1 11 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.702 0.904 19751 6817 1 11 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.745 0.319 19751 6818 1 11 . 1 1 86 86 PHE H H 86 9.221 9.221 9.022 0.199 19751 6819 1 11 . 1 1 87 87 LYS N N 87 129.305 129.305 128.277 1.028 19751 6820 1 11 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.129 0.222 19751 6821 1 11 . 1 1 87 87 LYS C C 87 175.203 175.203 176.156 -0.953 19751 6822 1 11 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.935 -0.238 19751 6823 1 11 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.436 0.138 19751 6824 1 11 . 1 1 87 87 LYS H H 87 8.397 8.397 8.580 -0.183 19751 6825 1 11 . 1 1 88 88 GLN N N 88 110.785 110.785 114.735 -3.950 19751 6826 1 11 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.329 0.062 19751 6827 1 11 . 1 1 88 88 GLN C C 88 185.308 185.308 173.586 11.722 19751 6828 1 11 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.836 -0.083 19751 6829 1 11 . 1 1 88 88 GLN H H 88 6.855 6.855 7.544 -0.689 19751 6830 1 11 . 1 1 89 89 SER N N 89 113.927 113.927 114.505 -0.578 19751 6831 1 11 . 1 1 89 89 SER HA H 89 5.298 5.298 5.332 -0.034 19751 6832 1 11 . 1 1 89 89 SER C C 89 173.757 173.757 174.052 -0.295 19751 6833 1 11 . 1 1 89 89 SER CA C 89 56.776 56.776 57.138 -0.362 19751 6834 1 11 . 1 1 89 89 SER CB C 89 67.417 67.417 66.398 1.018 19751 6835 1 11 . 1 1 89 89 SER H H 89 8.718 8.718 8.489 0.229 19751 6836 1 11 . 1 1 90 90 SER N N 90 114.246 114.246 118.777 -4.531 19751 6837 1 11 . 1 1 90 90 SER HA H 90 4.597 4.597 4.606 -0.009 19751 6838 1 11 . 1 1 90 90 SER CA C 90 58.356 58.356 58.337 0.019 19751 6839 1 11 . 1 1 90 90 SER CB C 90 63.952 63.952 63.574 0.378 19751 6840 1 11 . 1 1 90 90 SER H H 90 8.479 8.479 8.294 0.185 19751 6841 1 11 . 1 1 91 91 GLY N N 91 116.101 116.101 108.511 7.590 19751 6842 1 11 . 1 1 91 91 GLY C C 91 174.853 174.853 174.118 0.735 19751 6843 1 11 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.805 1.350 19751 6844 1 11 . 1 1 91 91 GLY H H 91 8.490 8.490 8.292 0.198 19751 6845 1 11 . 1 1 92 92 GLY N N 92 107.199 107.199 106.497 0.702 19751 6846 1 11 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.350 -0.684 19751 6847 1 11 . 1 1 92 92 GLY H H 92 8.914 8.914 8.102 0.812 19751 6848 1 11 . 1 1 93 93 ILE N N 93 118.958 118.958 119.472 -0.514 19751 6849 1 11 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.974 -0.236 19751 6850 1 11 . 1 1 93 93 ILE C C 93 175.050 175.050 173.883 1.167 19751 6851 1 11 . 1 1 93 93 ILE CA C 93 58.535 58.535 57.979 0.556 19751 6852 1 11 . 1 1 93 93 ILE CB C 93 38.109 38.109 39.456 -1.347 19751 6853 1 11 . 1 1 93 93 ILE H H 93 7.540 7.540 7.774 -0.234 19751 6854 1 11 . 1 1 94 94 ALA N N 94 131.032 131.032 129.447 1.585 19751 6855 1 11 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.238 -0.510 19751 6856 1 11 . 1 1 94 94 ALA C C 94 174.512 174.512 177.010 -2.498 19751 6857 1 11 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.020 0.418 19751 6858 1 11 . 1 1 94 94 ALA CB C 94 21.812 21.812 20.333 1.479 19751 6859 1 11 . 1 1 94 94 ALA H H 94 9.561 9.561 9.134 0.427 19751 6860 1 11 . 1 1 95 95 LEU N N 95 123.066 123.066 124.164 -1.098 19751 6861 1 11 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.838 0.125 19751 6862 1 11 . 1 1 95 95 LEU C C 95 174.922 174.922 175.794 -0.872 19751 6863 1 11 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.603 -0.088 19751 6864 1 11 . 1 1 95 95 LEU CB C 95 43.205 43.205 41.002 2.203 19751 6865 1 11 . 1 1 95 95 LEU H H 95 8.641 8.641 8.434 0.207 19751 6866 1 11 . 1 1 96 96 LEU N N 96 124.843 124.843 123.957 0.886 19751 6867 1 11 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.210 -0.039 19751 6868 1 11 . 1 1 96 96 LEU C C 96 175.059 175.059 176.987 -1.928 19751 6869 1 11 . 1 1 96 96 LEU CA C 96 52.639 52.639 52.893 -0.254 19751 6870 1 11 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.987 0.282 19751 6871 1 11 . 1 1 96 96 LEU H H 96 9.235 9.235 8.672 0.563 19751 6872 1 11 . 1 1 97 97 GLU N N 97 121.306 121.306 120.258 1.048 19751 6873 1 11 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.637 0.222 19751 6874 1 11 . 1 1 97 97 GLU C C 97 175.343 175.343 175.489 -0.146 19751 6875 1 11 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.888 0.203 19751 6876 1 11 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.827 2.588 19751 6877 1 11 . 1 1 97 97 GLU H H 97 9.113 9.113 8.507 0.606 19751 6878 1 11 . 1 1 98 98 ALA N N 98 126.658 126.658 127.698 -1.040 19751 6879 1 11 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.282 0.492 19751 6880 1 11 . 1 1 98 98 ALA C C 98 176.880 176.880 176.644 0.236 19751 6881 1 11 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.539 -0.944 19751 6882 1 11 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.690 1.693 19751 6883 1 11 . 1 1 98 98 ALA H H 98 8.731 8.731 8.489 0.242 19751 6884 1 11 . 1 1 99 99 LYS N N 99 121.674 121.674 123.949 -2.275 19751 6885 1 11 . 1 1 99 99 LYS H H 99 8.636 8.636 8.330 0.306 19751 6886 1 11 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.242 0.220 19751 6887 1 11 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.840 -0.352 19751 6888 1 11 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.414 1.772 19751 6889 1 11 . 1 1 101 101 GLY N N 101 110.695 110.695 113.944 -3.249 19751 6890 1 11 . 1 1 101 101 GLY C C 101 174.676 174.676 174.337 0.339 19751 6891 1 11 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.913 0.270 19751 6892 1 11 . 1 1 101 101 GLY H H 101 8.709 8.709 8.294 0.415 19751 6893 1 11 . 1 1 102 102 THR N N 102 116.771 116.771 118.914 -2.143 19751 6894 1 11 . 1 1 102 102 THR HA H 102 4.134 4.134 4.409 -0.275 19751 6895 1 11 . 1 1 102 102 THR CA C 102 62.998 62.998 62.901 0.097 19751 6896 1 11 . 1 1 102 102 THR CB C 102 69.736 69.736 69.502 0.234 19751 6897 1 11 . 1 1 102 102 THR H H 102 7.652 7.652 7.628 0.024 19751 6898 1 11 . 1 1 103 103 ASP N N 103 125.950 125.950 129.140 -3.190 19751 6899 1 11 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.708 -0.004 19751 6900 1 11 . 1 1 103 103 ASP C C 103 175.907 175.907 177.494 -1.587 19751 6901 1 11 . 1 1 103 103 ASP CA C 103 52.747 52.747 54.125 -1.378 19751 6902 1 11 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.127 0.860 19751 6903 1 11 . 1 1 103 103 ASP H H 103 8.849 8.849 8.814 0.035 19751 6904 1 11 . 1 1 104 104 LEU N N 104 127.195 127.195 120.086 7.109 19751 6905 1 11 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.850 0.021 19751 6906 1 11 . 1 1 104 104 LEU C C 104 178.528 178.528 178.074 0.454 19751 6907 1 11 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.249 -0.821 19751 6908 1 11 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.331 0.851 19751 6909 1 11 . 1 1 104 104 LEU H H 104 8.464 8.464 7.814 0.650 19751 6910 1 11 . 1 1 105 105 ASN N N 105 116.748 116.748 116.974 -0.226 19751 6911 1 11 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.295 0.042 19751 6912 1 11 . 1 1 105 105 ASN C C 105 177.999 177.999 176.979 1.020 19751 6913 1 11 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.508 0.034 19751 6914 1 11 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.959 0.266 19751 6915 1 11 . 1 1 105 105 ASN H H 105 8.225 8.225 8.475 -0.250 19751 6916 1 11 . 1 1 106 106 ALA N N 106 123.704 123.704 121.426 2.278 19751 6917 1 11 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.133 -0.047 19751 6918 1 11 . 1 1 106 106 ALA C C 106 181.021 181.021 179.001 2.020 19751 6919 1 11 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.445 0.439 19751 6920 1 11 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.456 -0.473 19751 6921 1 11 . 1 1 106 106 ALA H H 106 7.810 7.810 7.435 0.375 19751 6922 1 11 . 1 1 107 107 ILE N N 107 118.676 118.676 119.044 -0.368 19751 6923 1 11 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.556 0.098 19751 6924 1 11 . 1 1 107 107 ILE C C 107 177.324 177.324 178.197 -0.873 19751 6925 1 11 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.061 -0.226 19751 6926 1 11 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.356 0.251 19751 6927 1 11 . 1 1 107 107 ILE H H 107 7.582 7.582 7.073 0.509 19751 6928 1 11 . 1 1 108 108 ALA N N 108 122.550 122.550 121.955 0.595 19751 6929 1 11 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.924 -0.123 19751 6930 1 11 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.129 0.949 19751 6931 1 11 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.907 0.030 19751 6932 1 11 . 1 1 108 108 ALA H H 108 8.551 8.551 7.747 0.804 19751 6933 1 11 . 1 1 109 109 THR N N 109 113.975 113.975 112.870 1.105 19751 6934 1 11 . 1 1 109 109 THR HA H 109 3.806 3.806 4.011 -0.205 19751 6935 1 11 . 1 1 109 109 THR C C 109 176.632 176.632 176.431 0.201 19751 6936 1 11 . 1 1 109 109 THR CA C 109 67.362 67.362 66.081 1.281 19751 6937 1 11 . 1 1 109 109 THR CB C 109 68.554 68.554 68.597 -0.043 19751 6938 1 11 . 1 1 109 109 THR H H 109 8.197 8.197 7.401 0.796 19751 6939 1 11 . 1 1 110 110 LYS N N 110 123.603 123.603 120.737 2.866 19751 6940 1 11 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.210 -0.133 19751 6941 1 11 . 1 1 110 110 LYS C C 110 179.640 179.640 177.738 1.902 19751 6942 1 11 . 1 1 110 110 LYS CA C 110 59.365 59.365 58.493 0.872 19751 6943 1 11 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.580 -0.509 19751 6944 1 11 . 1 1 110 110 LYS H H 110 7.656 7.656 7.698 -0.042 19751 6945 1 11 . 1 1 111 111 LEU N N 111 120.492 120.492 119.228 1.264 19751 6946 1 11 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.259 -0.402 19751 6947 1 11 . 1 1 111 111 LEU C C 111 179.289 179.289 178.783 0.506 19751 6948 1 11 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.739 0.376 19751 6949 1 11 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.977 -0.862 19751 6950 1 11 . 1 1 111 111 LEU H H 111 8.441 8.441 7.407 1.034 19751 6951 1 11 . 1 1 112 112 LYS N N 112 120.305 120.305 118.485 1.820 19751 6952 1 11 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.208 0.233 19751 6953 1 11 . 1 1 112 112 LYS C C 112 181.574 181.574 178.721 2.853 19751 6954 1 11 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.921 0.690 19751 6955 1 11 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.990 0.303 19751 6956 1 11 . 1 1 112 112 LYS H H 112 8.452 8.452 8.208 0.244 19751 6957 1 11 . 1 1 113 113 SER N N 113 116.992 116.992 113.995 2.997 19751 6958 1 11 . 1 1 113 113 SER HA H 113 4.389 4.389 4.256 0.133 19751 6959 1 11 . 1 1 113 113 SER C C 113 175.200 175.200 175.884 -0.684 19751 6960 1 11 . 1 1 113 113 SER CA C 113 61.260 61.260 60.583 0.677 19751 6961 1 11 . 1 1 113 113 SER CB C 113 62.863 62.863 63.008 -0.145 19751 6962 1 11 . 1 1 113 113 SER H H 113 7.995 7.995 7.817 0.178 19751 6963 1 11 . 1 1 114 114 GLU N N 114 120.677 120.677 118.824 1.853 19751 6964 1 11 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.373 0.058 19751 6965 1 11 . 1 1 114 114 GLU C C 114 176.506 176.506 176.923 -0.417 19751 6966 1 11 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.518 -0.206 19751 6967 1 11 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.922 -1.524 19751 6968 1 11 . 1 1 114 114 GLU H H 114 7.577 7.577 7.897 -0.320 19751 6969 1 11 . 1 1 115 115 GLY N N 115 107.383 107.383 107.882 -0.499 19751 6970 1 11 . 1 1 115 115 GLY C C 115 174.019 174.019 173.553 0.466 19751 6971 1 11 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.724 0.774 19751 6972 1 11 . 1 1 115 115 GLY H H 115 7.947 7.947 7.707 0.240 19751 6973 1 11 . 1 1 116 116 VAL N N 116 121.389 121.389 120.637 0.752 19751 6974 1 11 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.093 0.039 19751 6975 1 11 . 1 1 116 116 VAL C C 116 175.092 175.092 174.867 0.225 19751 6976 1 11 . 1 1 116 116 VAL CA C 116 61.077 61.077 61.266 -0.189 19751 6977 1 11 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.056 0.987 19751 6978 1 11 . 1 1 116 116 VAL H H 116 7.704 7.704 7.440 0.264 19751 6979 1 11 . 1 1 117 117 ASN N N 117 125.670 125.670 127.693 -2.023 19751 6980 1 11 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.672 0.122 19751 6981 1 11 . 1 1 117 117 ASN C C 117 173.847 173.847 174.020 -0.173 19751 6982 1 11 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.510 -0.306 19751 6983 1 11 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.610 -0.609 19751 6984 1 11 . 1 1 117 117 ASN H H 117 9.161 9.161 8.618 0.543 19751 6985 1 11 . 1 1 118 118 VAL N N 118 121.648 121.648 118.826 2.822 19751 6986 1 11 . 1 1 118 118 VAL HA H 118 5.273 5.273 4.984 0.289 19751 6987 1 11 . 1 1 118 118 VAL C C 118 173.553 173.553 173.844 -0.291 19751 6988 1 11 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.329 -0.824 19751 6989 1 11 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.725 -0.636 19751 6990 1 11 . 1 1 118 118 VAL H H 118 7.811 7.811 7.772 0.039 19751 6991 1 11 . 1 1 119 119 GLN N N 119 124.298 124.298 120.156 4.142 19751 6992 1 11 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.726 -0.073 19751 6993 1 11 . 1 1 119 119 GLN C C 119 174.263 174.263 173.847 0.416 19751 6994 1 11 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.124 0.119 19751 6995 1 11 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.699 -0.173 19751 6996 1 11 . 1 1 119 119 GLN H H 119 8.746 8.746 8.262 0.484 19751 6997 1 11 . 1 1 120 120 ILE N N 120 122.997 122.997 126.549 -3.552 19751 6998 1 11 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.250 0.198 19751 6999 1 11 . 1 1 120 120 ILE C C 120 175.616 175.616 176.000 -0.384 19751 7000 1 11 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.957 1.000 19751 7001 1 11 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.284 3.646 19751 7002 1 11 . 1 1 120 120 ILE H H 120 8.670 8.670 8.648 0.022 19751 7003 1 11 . 1 1 121 121 GLU N N 121 128.460 128.460 128.009 0.451 19751 7004 1 11 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.562 -0.067 19751 7005 1 11 . 1 1 121 121 GLU C C 121 175.490 175.490 174.143 1.347 19751 7006 1 11 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.727 0.922 19751 7007 1 11 . 1 1 121 121 GLU CB C 121 31.190 31.190 33.245 -2.055 19751 7008 1 11 . 1 1 121 121 GLU H H 121 8.641 8.641 8.503 0.138 19751 7009 1 11 . 1 1 122 122 LEU N N 122 126.756 126.756 119.214 7.542 19751 7010 1 11 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.674 -0.095 19751 7011 1 11 . 1 1 122 122 LEU C C 122 177.291 177.291 176.434 0.857 19751 7012 1 11 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.572 0.940 19751 7013 1 11 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.849 -2.427 19751 7014 1 11 . 1 1 122 122 LEU H H 122 8.642 8.642 8.476 0.166 19751 7015 1 11 . 1 1 123 123 SER N N 123 117.273 117.273 117.126 0.147 19751 7016 1 11 . 1 1 123 123 SER HA H 123 4.430 4.430 4.569 -0.139 19751 7017 1 11 . 1 1 123 123 SER C C 123 175.066 175.066 174.385 0.681 19751 7018 1 11 . 1 1 123 123 SER CA C 123 58.499 58.499 57.713 0.786 19751 7019 1 11 . 1 1 123 123 SER CB C 123 63.946 63.946 62.494 1.452 19751 7020 1 11 . 1 1 123 123 SER H H 123 8.496 8.496 8.788 -0.292 19751 7021 1 11 . 1 1 124 124 GLY N N 124 111.280 111.280 109.447 1.833 19751 7022 1 11 . 1 1 124 124 GLY C C 124 174.099 174.099 172.910 1.189 19751 7023 1 11 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.274 -0.895 19751 7024 1 11 . 1 1 124 124 GLY H H 124 8.566 8.566 8.537 0.029 19751 7025 1 11 . 1 1 125 125 ALA N N 125 123.586 123.586 124.936 -1.350 19751 7026 1 11 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.595 -0.288 19751 7027 1 11 . 1 1 125 125 ALA C C 125 177.915 177.915 176.704 1.211 19751 7028 1 11 . 1 1 125 125 ALA CA C 125 52.617 52.617 51.568 1.049 19751 7029 1 11 . 1 1 125 125 ALA CB C 125 19.308 19.308 17.325 1.983 19751 7030 1 11 . 1 1 125 125 ALA H H 125 8.158 8.158 8.197 -0.039 19751 7031 1 11 . 1 1 126 126 GLU N N 126 120.076 120.076 120.957 -0.881 19751 7032 1 11 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.471 -0.120 19751 7033 1 11 . 1 1 126 126 GLU C C 126 176.544 176.544 175.538 1.006 19751 7034 1 11 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.291 1.593 19751 7035 1 11 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.404 0.207 19751 7036 1 11 . 1 1 126 126 GLU H H 126 8.524 8.524 7.623 0.901 19751 7037 1 11 . 1 1 127 127 GLN N N 127 121.453 121.453 119.702 1.751 19751 7038 1 11 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.501 -0.194 19751 7039 1 11 . 1 1 127 127 GLN C C 127 175.691 175.691 175.116 0.575 19751 7040 1 11 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.739 -0.159 19751 7041 1 11 . 1 1 127 127 GLN CB C 127 29.703 29.703 28.157 1.546 19751 7042 1 11 . 1 1 127 127 GLN H H 127 8.356 8.356 8.597 -0.241 19751 7043 1 11 . 1 1 128 128 GLN N N 128 122.570 122.570 120.933 1.637 19751 7044 1 11 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.594 -0.009 19751 7045 1 11 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.402 0.342 19751 7046 1 11 . 1 1 128 128 GLN CB C 128 28.864 28.864 29.003 -0.139 19751 7047 1 11 . 1 1 128 128 GLN H H 128 8.348 8.348 8.162 0.186 19751 7048 1 11 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.600 -0.199 19751 7049 1 11 . 1 1 129 129 PRO C C 129 175.988 175.988 177.837 -1.849 19751 7050 1 11 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.394 1.055 19751 7051 1 11 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.380 -0.423 19751 7052 1 12 . 1 1 2 2 GLU N N 2 122.196 122.196 121.253 0.943 19751 7053 1 12 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.820 -0.585 19751 7054 1 12 . 1 1 2 2 GLU C C 2 175.712 175.712 175.422 0.290 19751 7055 1 12 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.074 0.558 19751 7056 1 12 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.612 -0.641 19751 7057 1 12 . 1 1 2 2 GLU H H 2 8.617 8.617 8.649 -0.032 19751 7058 1 12 . 1 1 3 3 SER N N 3 116.623 116.623 117.371 -0.748 19751 7059 1 12 . 1 1 3 3 SER HA H 3 4.597 4.597 4.816 -0.219 19751 7060 1 12 . 1 1 3 3 SER C C 3 174.294 174.294 172.753 1.541 19751 7061 1 12 . 1 1 3 3 SER CA C 3 58.386 58.386 57.959 0.427 19751 7062 1 12 . 1 1 3 3 SER CB C 3 64.039 64.039 64.400 -0.361 19751 7063 1 12 . 1 1 3 3 SER H H 3 8.305 8.305 8.553 -0.248 19751 7064 1 12 . 1 1 4 4 VAL N N 4 121.759 121.759 124.114 -2.355 19751 7065 1 12 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.376 -0.067 19751 7066 1 12 . 1 1 4 4 VAL C C 4 176.177 176.177 173.911 2.266 19751 7067 1 12 . 1 1 4 4 VAL CA C 4 61.709 61.709 62.929 -1.220 19751 7068 1 12 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.438 -0.083 19751 7069 1 12 . 1 1 4 4 VAL H H 4 8.303 8.303 8.590 -0.287 19751 7070 1 12 . 1 1 5 5 THR N N 5 118.335 118.335 122.035 -3.700 19751 7071 1 12 . 1 1 5 5 THR HA H 5 4.592 4.592 4.541 0.051 19751 7072 1 12 . 1 1 5 5 THR C C 5 173.579 173.579 173.775 -0.196 19751 7073 1 12 . 1 1 5 5 THR CA C 5 62.022 62.022 62.208 -0.186 19751 7074 1 12 . 1 1 5 5 THR CB C 5 70.047 70.047 69.534 0.513 19751 7075 1 12 . 1 1 5 5 THR H H 5 8.319 8.319 8.039 0.281 19751 7076 1 12 . 1 1 6 6 MET N N 6 123.858 123.858 125.426 -1.568 19751 7077 1 12 . 1 1 6 6 MET CA C 6 57.260 57.260 55.313 1.947 19751 7078 1 12 . 1 1 6 6 MET CB C 6 33.780 33.780 33.928 -0.149 19751 7079 1 12 . 1 1 6 6 MET H H 6 8.035 8.035 8.656 -0.621 19751 7080 1 12 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.625 -0.128 19751 7081 1 12 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.711 0.439 19751 7082 1 12 . 1 1 7 7 ASP CB C 7 41.264 41.264 41.325 -0.061 19751 7083 1 12 . 1 1 8 8 GLY N N 8 114.130 114.130 108.579 5.551 19751 7084 1 12 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.467 1.146 19751 7085 1 12 . 1 1 8 8 GLY H H 8 8.386 8.386 8.039 0.347 19751 7086 1 12 . 1 1 9 9 LYS N N 9 120.803 120.803 121.455 -0.652 19751 7087 1 12 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.729 -0.385 19751 7088 1 12 . 1 1 9 9 LYS H H 9 8.021 8.021 8.381 -0.360 19751 7089 1 12 . 1 1 10 10 GLN N N 10 120.522 120.522 121.733 -1.211 19751 7090 1 12 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.685 -0.218 19751 7091 1 12 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.067 0.214 19751 7092 1 12 . 1 1 10 10 GLN CB C 10 30.410 30.410 29.516 0.894 19751 7093 1 12 . 1 1 10 10 GLN H H 10 8.246 8.246 8.596 -0.350 19751 7094 1 12 . 1 1 11 11 TYR N N 11 121.213 121.213 118.410 2.803 19751 7095 1 12 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.977 -0.678 19751 7096 1 12 . 1 1 11 11 TYR CA C 11 56.949 56.949 55.879 1.070 19751 7097 1 12 . 1 1 11 11 TYR CB C 11 43.274 43.274 40.073 3.201 19751 7098 1 12 . 1 1 11 11 TYR H H 11 8.873 8.873 7.771 1.102 19751 7099 1 12 . 1 1 12 12 SER N N 12 117.406 117.406 117.082 0.324 19751 7100 1 12 . 1 1 12 12 SER HA H 12 4.715 4.715 4.750 -0.035 19751 7101 1 12 . 1 1 12 12 SER CA C 12 57.374 57.374 58.249 -0.875 19751 7102 1 12 . 1 1 12 12 SER CB C 12 63.946 63.946 63.723 0.223 19751 7103 1 12 . 1 1 12 12 SER H H 12 9.047 9.047 8.708 0.339 19751 7104 1 12 . 1 1 13 13 THR N N 13 112.091 112.091 120.152 -8.061 19751 7105 1 12 . 1 1 13 13 THR HA H 13 4.929 4.929 4.557 0.372 19751 7106 1 12 . 1 1 13 13 THR CA C 13 60.716 60.716 62.168 -1.452 19751 7107 1 12 . 1 1 13 13 THR CB C 13 71.808 71.808 70.215 1.593 19751 7108 1 12 . 1 1 13 13 THR H H 13 8.235 8.235 8.189 0.046 19751 7109 1 12 . 1 1 14 14 ILE N N 14 120.891 120.891 125.250 -4.359 19751 7110 1 12 . 1 1 14 14 ILE H H 14 9.108 9.108 8.361 0.747 19751 7111 1 12 . 1 1 15 15 GLU N N 15 127.598 127.598 127.019 0.579 19751 7112 1 12 . 1 1 15 15 GLU H H 15 8.300 8.300 8.544 -0.244 19751 7113 1 12 . 1 1 16 16 VAL N N 16 126.224 126.224 122.863 3.361 19751 7114 1 12 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.355 -0.071 19751 7115 1 12 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.987 -0.152 19751 7116 1 12 . 1 1 16 16 VAL CB C 16 34.896 34.896 32.910 1.986 19751 7117 1 12 . 1 1 16 16 VAL H H 16 9.320 9.320 8.563 0.757 19751 7118 1 12 . 1 1 17 17 ASN N N 17 123.394 123.394 127.312 -3.918 19751 7119 1 12 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.437 0.727 19751 7120 1 12 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.774 -0.225 19751 7121 1 12 . 1 1 17 17 ASN CB C 17 37.215 37.215 36.647 0.568 19751 7122 1 12 . 1 1 17 17 ASN H H 17 9.310 9.310 9.315 -0.005 19751 7123 1 12 . 1 1 18 18 GLY H H 18 9.024 9.024 8.614 0.410 19751 7124 1 12 . 1 1 19 19 GLN N N 19 119.994 119.994 116.271 3.723 19751 7125 1 12 . 1 1 19 19 GLN H H 19 7.990 7.990 7.976 0.014 19751 7126 1 12 . 1 1 20 20 THR N N 20 117.472 117.472 112.645 4.827 19751 7127 1 12 . 1 1 20 20 THR HA H 20 4.384 4.384 4.603 -0.219 19751 7128 1 12 . 1 1 20 20 THR CA C 20 63.334 63.334 60.186 3.148 19751 7129 1 12 . 1 1 20 20 THR CB C 20 69.401 69.401 69.961 -0.560 19751 7130 1 12 . 1 1 20 20 THR H H 20 8.401 8.401 8.148 0.253 19751 7131 1 12 . 1 1 21 21 TYR N N 21 126.847 126.847 123.620 3.227 19751 7132 1 12 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.674 -0.512 19751 7133 1 12 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.996 -0.509 19751 7134 1 12 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.656 3.674 19751 7135 1 12 . 1 1 21 21 TYR H H 21 9.367 9.367 8.501 0.866 19751 7136 1 12 . 1 1 22 22 LEU N N 22 118.537 118.537 124.609 -6.072 19751 7137 1 12 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.697 -0.505 19751 7138 1 12 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.602 2.320 19751 7139 1 12 . 1 1 22 22 LEU CB C 22 43.212 43.212 43.400 -0.188 19751 7140 1 12 . 1 1 22 22 LEU H H 22 9.060 9.060 8.675 0.385 19751 7141 1 12 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.578 -0.187 19751 7142 1 12 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.561 0.773 19751 7143 1 12 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.553 -0.413 19751 7144 1 12 . 1 1 25 25 ASP N N 25 121.554 121.554 121.195 0.359 19751 7145 1 12 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.887 -0.295 19751 7146 1 12 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.911 0.397 19751 7147 1 12 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.974 -0.887 19751 7148 1 12 . 1 1 25 25 ASP H H 25 8.324 8.324 8.604 -0.280 19751 7149 1 12 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.783 -0.044 19751 7150 1 12 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.592 -0.936 19751 7151 1 12 . 1 1 26 26 ASN CB C 26 39.132 39.132 40.060 -0.928 19751 7152 1 12 . 1 1 27 27 GLY N N 27 109.206 109.206 110.436 -1.230 19751 7153 1 12 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.652 0.762 19751 7154 1 12 . 1 1 27 27 GLY H H 27 8.494 8.494 8.759 -0.265 19751 7155 1 12 . 1 1 28 28 SER N N 28 116.238 116.238 116.621 -0.383 19751 7156 1 12 . 1 1 28 28 SER HA H 28 4.384 4.384 5.091 -0.707 19751 7157 1 12 . 1 1 28 28 SER CA C 28 60.226 60.226 57.555 2.671 19751 7158 1 12 . 1 1 28 28 SER CB C 28 63.818 63.818 65.994 -2.176 19751 7159 1 12 . 1 1 28 28 SER H H 28 8.372 8.372 8.853 -0.481 19751 7160 1 12 . 1 1 29 29 LYS N N 29 121.905 121.905 121.336 0.569 19751 7161 1 12 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.890 -0.559 19751 7162 1 12 . 1 1 29 29 LYS CA C 29 56.353 56.353 55.680 0.673 19751 7163 1 12 . 1 1 29 29 LYS CB C 29 33.347 33.347 34.866 -1.519 19751 7164 1 12 . 1 1 29 29 LYS H H 29 8.027 8.027 8.916 -0.889 19751 7165 1 12 . 1 1 30 30 LYS N N 30 122.663 122.663 121.080 1.583 19751 7166 1 12 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.800 -0.506 19751 7167 1 12 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.300 0.914 19751 7168 1 12 . 1 1 30 30 LYS CB C 30 33.171 33.171 35.786 -2.615 19751 7169 1 12 . 1 1 30 30 LYS H H 30 8.223 8.223 8.983 -0.760 19751 7170 1 12 . 1 1 31 31 ARG N N 31 123.469 123.469 122.060 1.409 19751 7171 1 12 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.788 -0.433 19751 7172 1 12 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.292 1.003 19751 7173 1 12 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.677 0.177 19751 7174 1 12 . 1 1 31 31 ARG H H 31 8.404 8.404 8.848 -0.444 19751 7175 1 12 . 1 1 32 32 VAL N N 32 122.456 122.456 121.263 1.193 19751 7176 1 12 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.826 -0.583 19751 7177 1 12 . 1 1 32 32 VAL CA C 32 62.316 62.316 61.769 0.547 19751 7178 1 12 . 1 1 32 32 VAL CB C 32 32.863 32.863 34.248 -1.385 19751 7179 1 12 . 1 1 32 32 VAL H H 32 8.214 8.214 9.006 -0.792 19751 7180 1 12 . 1 1 33 33 ALA N N 33 127.685 127.685 129.751 -2.066 19751 7181 1 12 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.790 -0.488 19751 7182 1 12 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.988 0.629 19751 7183 1 12 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.821 -1.513 19751 7184 1 12 . 1 1 33 33 ALA H H 33 8.374 8.374 8.479 -0.105 19751 7185 1 12 . 1 1 34 34 ARG N N 34 119.922 119.922 121.808 -1.886 19751 7186 1 12 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.521 -0.198 19751 7187 1 12 . 1 1 34 34 ARG CA C 34 56.820 56.820 56.928 -0.108 19751 7188 1 12 . 1 1 34 34 ARG CB C 34 30.160 30.160 30.855 -0.695 19751 7189 1 12 . 1 1 34 34 ARG H H 34 8.652 8.652 8.704 -0.052 19751 7190 1 12 . 1 1 35 35 SER N N 35 116.881 116.881 116.272 0.609 19751 7191 1 12 . 1 1 35 35 SER HA H 35 4.543 4.543 4.544 -0.001 19751 7192 1 12 . 1 1 35 35 SER CA C 35 58.440 58.440 58.259 0.181 19751 7193 1 12 . 1 1 35 35 SER CB C 35 64.094 64.094 64.021 0.073 19751 7194 1 12 . 1 1 35 35 SER H H 35 8.359 8.359 8.465 -0.106 19751 7195 1 12 . 1 1 36 36 LEU N N 36 124.595 124.595 124.244 0.351 19751 7196 1 12 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.872 -0.499 19751 7197 1 12 . 1 1 36 36 LEU CA C 36 55.594 55.594 54.839 0.755 19751 7198 1 12 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.864 -1.586 19751 7199 1 12 . 1 1 36 36 LEU H H 36 8.546 8.546 8.844 -0.298 19751 7200 1 12 . 1 1 37 37 ASP N N 37 119.422 119.422 124.081 -4.659 19751 7201 1 12 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.072 -0.480 19751 7202 1 12 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.533 0.775 19751 7203 1 12 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.723 -1.541 19751 7204 1 12 . 1 1 37 37 ASP H H 37 8.186 8.186 8.815 -0.629 19751 7205 1 12 . 1 1 38 38 SER N N 38 116.413 116.413 116.789 -0.376 19751 7206 1 12 . 1 1 38 38 SER HA H 38 4.450 4.450 4.782 -0.332 19751 7207 1 12 . 1 1 38 38 SER CA C 38 58.499 58.499 58.413 0.086 19751 7208 1 12 . 1 1 38 38 SER CB C 38 63.818 63.818 63.741 0.077 19751 7209 1 12 . 1 1 38 38 SER H H 38 8.177 8.177 8.719 -0.542 19751 7210 1 12 . 1 1 39 39 LYS N N 39 123.095 123.095 122.912 0.183 19751 7211 1 12 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.611 -0.274 19751 7212 1 12 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.725 0.954 19751 7213 1 12 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.566 -1.335 19751 7214 1 12 . 1 1 39 39 LYS H H 39 8.379 8.379 8.366 0.013 19751 7215 1 12 . 1 1 40 40 VAL N N 40 122.475 122.475 116.231 6.244 19751 7216 1 12 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.474 -0.086 19751 7217 1 12 . 1 1 40 40 VAL CA C 40 60.161 60.161 60.784 -0.623 19751 7218 1 12 . 1 1 40 40 VAL CB C 40 32.615 32.615 31.892 0.723 19751 7219 1 12 . 1 1 40 40 VAL H H 40 8.069 8.069 8.303 -0.234 19751 7220 1 12 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.621 -0.200 19751 7221 1 12 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.297 -0.539 19751 7222 1 12 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.805 1.502 19751 7223 1 12 . 1 1 42 42 GLN N N 42 121.230 121.230 122.223 -0.993 19751 7224 1 12 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.483 -0.204 19751 7225 1 12 . 1 1 42 42 GLN CA C 42 56.028 56.028 56.123 -0.096 19751 7226 1 12 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.816 -1.097 19751 7227 1 12 . 1 1 42 42 GLN H H 42 8.482 8.482 8.204 0.278 19751 7228 1 12 . 1 1 43 43 GLN N N 43 121.831 121.831 125.797 -3.966 19751 7229 1 12 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.765 -0.376 19751 7230 1 12 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.059 -0.135 19751 7231 1 12 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.574 -1.045 19751 7232 1 12 . 1 1 43 43 GLN H H 43 8.506 8.506 8.684 -0.178 19751 7233 1 12 . 1 1 44 44 THR N N 44 116.251 116.251 116.790 -0.539 19751 7234 1 12 . 1 1 44 44 THR HA H 44 4.302 4.302 4.579 -0.277 19751 7235 1 12 . 1 1 44 44 THR CA C 44 61.922 61.922 62.183 -0.261 19751 7236 1 12 . 1 1 44 44 THR CB C 44 69.811 69.811 69.782 0.029 19751 7237 1 12 . 1 1 44 44 THR H H 44 8.231 8.231 8.339 -0.108 19751 7238 1 12 . 1 1 45 45 LEU N N 45 125.046 125.046 124.261 0.785 19751 7239 1 12 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.872 -0.374 19751 7240 1 12 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.582 0.525 19751 7241 1 12 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.848 -1.036 19751 7242 1 12 . 1 1 45 45 LEU H H 45 8.257 8.257 8.683 -0.426 19751 7243 1 12 . 1 1 46 46 ARG N N 46 120.522 120.522 123.812 -3.290 19751 7244 1 12 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.034 -0.801 19751 7245 1 12 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.364 1.099 19751 7246 1 12 . 1 1 46 46 ARG CB C 46 29.971 29.971 33.180 -3.209 19751 7247 1 12 . 1 1 46 46 ARG H H 46 8.007 8.007 8.814 -0.807 19751 7248 1 12 . 1 1 47 47 ARG N N 47 121.010 121.010 121.790 -0.780 19751 7249 1 12 . 1 1 47 47 ARG H H 47 8.324 8.324 8.985 -0.661 19751 7250 1 12 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.959 0.381 19751 7251 1 12 . 1 1 49 49 ASP N N 49 120.513 120.513 123.937 -3.424 19751 7252 1 12 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.643 -0.024 19751 7253 1 12 . 1 1 49 49 ASP CA C 49 54.330 54.330 54.001 0.329 19751 7254 1 12 . 1 1 49 49 ASP CB C 49 41.163 41.163 41.769 -0.606 19751 7255 1 12 . 1 1 49 49 ASP H H 49 8.225 8.225 8.228 -0.003 19751 7256 1 12 . 1 1 50 50 VAL N N 50 119.718 119.718 120.491 -0.773 19751 7257 1 12 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.631 -0.559 19751 7258 1 12 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.854 0.548 19751 7259 1 12 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.257 -0.463 19751 7260 1 12 . 1 1 50 50 VAL H H 50 8.024 8.024 8.381 -0.357 19751 7261 1 12 . 1 1 51 51 LEU N N 51 125.249 125.249 127.247 -1.998 19751 7262 1 12 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.623 -0.277 19751 7263 1 12 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.342 0.028 19751 7264 1 12 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.116 -0.737 19751 7265 1 12 . 1 1 51 51 LEU H H 51 8.305 8.305 8.106 0.199 19751 7266 1 12 . 1 1 52 52 MET HA H 52 4.458 4.458 4.884 -0.426 19751 7267 1 12 . 1 1 52 52 MET CA C 52 55.417 55.417 55.680 -0.263 19751 7268 1 12 . 1 1 52 52 MET CB C 52 32.264 32.264 34.609 -2.345 19751 7269 1 12 . 1 1 53 53 GLN N N 53 121.447 121.447 122.951 -1.504 19751 7270 1 12 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.703 -0.396 19751 7271 1 12 . 1 1 53 53 GLN CA C 53 56.214 56.214 54.982 1.232 19751 7272 1 12 . 1 1 53 53 GLN CB C 53 29.697 29.697 31.027 -1.330 19751 7273 1 12 . 1 1 53 53 GLN H H 53 8.373 8.373 8.599 -0.226 19751 7274 1 12 . 1 1 54 54 GLY N N 54 110.484 110.484 108.134 2.350 19751 7275 1 12 . 1 1 54 54 GLY CA C 54 45.250 45.250 44.636 0.614 19751 7276 1 12 . 1 1 54 54 GLY H H 54 8.456 8.456 8.146 0.310 19751 7277 1 12 . 1 1 55 55 ALA N N 55 123.673 123.673 123.881 -0.208 19751 7278 1 12 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.402 -0.095 19751 7279 1 12 . 1 1 55 55 ALA C C 55 177.397 177.397 175.936 1.461 19751 7280 1 12 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.085 0.532 19751 7281 1 12 . 1 1 55 55 ALA CB C 55 19.308 19.308 19.714 -0.406 19751 7282 1 12 . 1 1 55 55 ALA H H 55 8.113 8.113 8.241 -0.128 19751 7283 1 12 . 1 1 56 56 ALA N N 56 123.295 123.295 124.961 -1.666 19751 7284 1 12 . 1 1 56 56 ALA HA H 56 4.303 4.303 4.771 -0.468 19751 7285 1 12 . 1 1 56 56 ALA C C 56 177.446 177.446 176.009 1.437 19751 7286 1 12 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.642 -0.209 19751 7287 1 12 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.730 -1.422 19751 7288 1 12 . 1 1 56 56 ALA H H 56 8.297 8.297 8.301 -0.004 19751 7289 1 12 . 1 1 57 57 SER N N 57 116.534 116.534 116.551 -0.017 19751 7290 1 12 . 1 1 57 57 SER HA H 57 4.737 4.737 4.605 0.132 19751 7291 1 12 . 1 1 57 57 SER CA C 57 56.332 56.332 57.664 -1.333 19751 7292 1 12 . 1 1 57 57 SER CB C 57 63.567 63.567 63.779 -0.212 19751 7293 1 12 . 1 1 57 57 SER H H 57 8.258 8.258 8.407 -0.149 19751 7294 1 12 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.583 -0.181 19751 7295 1 12 . 1 1 58 58 PRO C C 58 176.874 176.874 175.723 1.151 19751 7296 1 12 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.409 -0.052 19751 7297 1 12 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.617 -0.582 19751 7298 1 12 . 1 1 59 59 GLU N N 59 120.545 120.545 121.631 -1.086 19751 7299 1 12 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.798 -0.562 19751 7300 1 12 . 1 1 59 59 GLU C C 59 176.383 176.383 174.675 1.708 19751 7301 1 12 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.325 1.250 19751 7302 1 12 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.787 -1.684 19751 7303 1 12 . 1 1 59 59 GLU H H 59 8.556 8.556 8.597 -0.041 19751 7304 1 12 . 1 1 60 60 LEU N N 60 122.946 122.946 119.268 3.678 19751 7305 1 12 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.653 -0.209 19751 7306 1 12 . 1 1 60 60 LEU C C 60 177.201 177.201 174.713 2.488 19751 7307 1 12 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.555 0.565 19751 7308 1 12 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.466 -1.178 19751 7309 1 12 . 1 1 60 60 LEU H H 60 8.205 8.205 8.238 -0.033 19751 7310 1 12 . 1 1 61 61 THR N N 61 115.168 115.168 115.719 -0.551 19751 7311 1 12 . 1 1 61 61 THR HA H 61 4.380 4.380 4.678 -0.298 19751 7312 1 12 . 1 1 61 61 THR C C 61 174.201 174.201 173.473 0.728 19751 7313 1 12 . 1 1 61 61 THR CA C 61 61.792 61.792 61.997 -0.205 19751 7314 1 12 . 1 1 61 61 THR CB C 61 69.770 69.770 70.039 -0.269 19751 7315 1 12 . 1 1 61 61 THR H H 61 8.149 8.149 8.230 -0.081 19751 7316 1 12 . 1 1 62 62 VAL N N 62 121.650 121.650 125.315 -3.665 19751 7317 1 12 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.258 0.061 19751 7318 1 12 . 1 1 62 62 VAL C C 62 175.921 175.921 174.557 1.364 19751 7319 1 12 . 1 1 62 62 VAL CA C 62 61.709 61.709 61.827 -0.118 19751 7320 1 12 . 1 1 62 62 VAL CB C 62 33.355 33.355 35.128 -1.773 19751 7321 1 12 . 1 1 62 62 VAL H H 62 8.091 8.091 8.277 -0.186 19751 7322 1 12 . 1 1 63 63 SER N N 63 120.076 120.076 119.382 0.694 19751 7323 1 12 . 1 1 63 63 SER HA H 63 4.542 4.542 4.659 -0.117 19751 7324 1 12 . 1 1 63 63 SER C C 63 174.254 174.254 173.596 0.658 19751 7325 1 12 . 1 1 63 63 SER CA C 63 58.375 58.375 58.218 0.157 19751 7326 1 12 . 1 1 63 63 SER CB C 63 64.196 64.196 64.361 -0.165 19751 7327 1 12 . 1 1 63 63 SER H H 63 8.524 8.524 8.614 -0.090 19751 7328 1 12 . 1 1 64 64 GLY N N 64 109.912 109.912 113.045 -3.133 19751 7329 1 12 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.804 -0.420 19751 7330 1 12 . 1 1 64 64 GLY H H 64 8.255 8.255 8.550 -0.295 19751 7331 1 12 . 1 1 65 65 THR N N 65 114.200 114.200 115.793 -1.593 19751 7332 1 12 . 1 1 65 65 THR HA H 65 4.929 4.929 5.202 -0.273 19751 7333 1 12 . 1 1 65 65 THR CA C 65 60.826 60.826 61.613 -0.787 19751 7334 1 12 . 1 1 65 65 THR CB C 65 71.805 71.805 72.419 -0.614 19751 7335 1 12 . 1 1 65 65 THR H H 65 8.468 8.468 7.984 0.484 19751 7336 1 12 . 1 1 66 66 LEU N N 66 122.673 122.673 122.988 -0.315 19751 7337 1 12 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.707 0.214 19751 7338 1 12 . 1 1 66 66 LEU C C 66 174.364 174.364 174.358 0.006 19751 7339 1 12 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.176 -0.766 19751 7340 1 12 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.083 -1.633 19751 7341 1 12 . 1 1 66 66 LEU H H 66 9.054 9.054 8.945 0.109 19751 7342 1 12 . 1 1 67 67 LEU N N 67 124.219 124.219 126.166 -1.947 19751 7343 1 12 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.813 0.395 19751 7344 1 12 . 1 1 67 67 LEU C C 67 177.107 177.107 175.588 1.519 19751 7345 1 12 . 1 1 67 67 LEU CA C 67 53.773 53.773 53.947 -0.174 19751 7346 1 12 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.487 0.719 19751 7347 1 12 . 1 1 67 67 LEU H H 67 8.927 8.927 9.152 -0.225 19751 7348 1 12 . 1 1 68 68 VAL N N 68 121.113 121.113 126.036 -4.923 19751 7349 1 12 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.266 0.590 19751 7350 1 12 . 1 1 68 68 VAL C C 68 174.079 174.079 174.471 -0.392 19751 7351 1 12 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.704 0.154 19751 7352 1 12 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.580 0.435 19751 7353 1 12 . 1 1 68 68 VAL H H 68 9.345 9.345 8.650 0.695 19751 7354 1 12 . 1 1 69 69 GLU N N 69 127.682 127.682 131.509 -3.827 19751 7355 1 12 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.642 0.257 19751 7356 1 12 . 1 1 69 69 GLU C C 69 173.485 173.485 175.091 -1.606 19751 7357 1 12 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.551 -1.204 19751 7358 1 12 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.694 0.277 19751 7359 1 12 . 1 1 69 69 GLU H H 69 8.110 8.110 8.765 -0.655 19751 7360 1 12 . 1 1 70 70 ALA N N 70 130.042 130.042 127.631 2.411 19751 7361 1 12 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.455 0.109 19751 7362 1 12 . 1 1 70 70 ALA C C 70 174.853 174.853 175.166 -0.313 19751 7363 1 12 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.404 0.300 19751 7364 1 12 . 1 1 70 70 ALA CB C 70 21.431 21.431 20.534 0.897 19751 7365 1 12 . 1 1 70 70 ALA H H 70 7.991 7.991 7.740 0.251 19751 7366 1 12 . 1 1 71 71 ASP N N 71 117.021 117.021 118.147 -1.126 19751 7367 1 12 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.777 -0.197 19751 7368 1 12 . 1 1 71 71 ASP C C 71 175.160 175.160 176.990 -1.830 19751 7369 1 12 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.138 -0.095 19751 7370 1 12 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.060 -1.138 19751 7371 1 12 . 1 1 71 71 ASP H H 71 8.025 8.025 8.222 -0.197 19751 7372 1 12 . 1 1 72 72 ASP N N 72 119.867 119.867 119.563 0.304 19751 7373 1 12 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.874 0.249 19751 7374 1 12 . 1 1 72 72 ASP C C 72 177.598 177.598 177.701 -0.103 19751 7375 1 12 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.187 1.270 19751 7376 1 12 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.450 -0.461 19751 7377 1 12 . 1 1 72 72 ASP H H 72 8.644 8.644 8.764 -0.120 19751 7378 1 12 . 1 1 73 73 ALA N N 73 120.735 120.735 121.685 -0.950 19751 7379 1 12 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.039 -0.087 19751 7380 1 12 . 1 1 73 73 ALA C C 73 181.711 181.711 179.918 1.793 19751 7381 1 12 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.845 0.512 19751 7382 1 12 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.363 -0.542 19751 7383 1 12 . 1 1 73 73 ALA H H 73 8.212 8.212 8.258 -0.046 19751 7384 1 12 . 1 1 74 74 SER N N 74 116.971 116.971 112.820 4.151 19751 7385 1 12 . 1 1 74 74 SER HA H 74 4.207 4.207 4.336 -0.129 19751 7386 1 12 . 1 1 74 74 SER C C 74 176.918 176.918 176.157 0.761 19751 7387 1 12 . 1 1 74 74 SER CA C 74 61.632 61.632 59.455 2.177 19751 7388 1 12 . 1 1 74 74 SER CB C 74 62.233 62.233 62.725 -0.492 19751 7389 1 12 . 1 1 74 74 SER H H 74 8.376 8.376 8.144 0.232 19751 7390 1 12 . 1 1 75 75 ALA N N 75 124.844 124.844 125.461 -0.617 19751 7391 1 12 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.788 0.034 19751 7392 1 12 . 1 1 75 75 ALA C C 75 179.160 179.160 179.147 0.013 19751 7393 1 12 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.242 0.059 19751 7394 1 12 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.743 0.769 19751 7395 1 12 . 1 1 75 75 ALA H H 75 9.121 9.121 7.509 1.612 19751 7396 1 12 . 1 1 76 76 LYS N N 76 117.821 117.821 118.410 -0.589 19751 7397 1 12 . 1 1 76 76 LYS HA H 76 3.805 3.805 4.002 -0.197 19751 7398 1 12 . 1 1 76 76 LYS C C 76 179.175 179.175 178.590 0.585 19751 7399 1 12 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.418 0.720 19751 7400 1 12 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.682 0.680 19751 7401 1 12 . 1 1 76 76 LYS H H 76 8.306 8.306 7.932 0.374 19751 7402 1 12 . 1 1 77 77 ALA N N 77 122.703 122.703 121.930 0.773 19751 7403 1 12 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.055 0.135 19751 7404 1 12 . 1 1 77 77 ALA C C 77 180.868 180.868 179.971 0.897 19751 7405 1 12 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.796 0.356 19751 7406 1 12 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.126 -0.294 19751 7407 1 12 . 1 1 77 77 ALA H H 77 7.584 7.584 7.539 0.045 19751 7408 1 12 . 1 1 78 78 LEU N N 78 120.574 120.574 118.051 2.523 19751 7409 1 12 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.004 0.032 19751 7410 1 12 . 1 1 78 78 LEU C C 78 178.870 178.870 179.299 -0.429 19751 7411 1 12 . 1 1 78 78 LEU CA C 78 57.888 57.888 57.110 0.778 19751 7412 1 12 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.831 0.648 19751 7413 1 12 . 1 1 78 78 LEU H H 78 8.338 8.338 7.661 0.677 19751 7414 1 12 . 1 1 79 79 ALA N N 79 121.156 121.156 121.816 -0.660 19751 7415 1 12 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.085 -0.190 19751 7416 1 12 . 1 1 79 79 ALA C C 79 179.393 179.393 179.155 0.238 19751 7417 1 12 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.344 0.416 19751 7418 1 12 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.405 -1.149 19751 7419 1 12 . 1 1 79 79 ALA H H 79 8.491 8.491 8.401 0.090 19751 7420 1 12 . 1 1 80 80 THR N N 80 114.097 114.097 111.881 2.216 19751 7421 1 12 . 1 1 80 80 THR HA H 80 4.048 4.048 4.264 -0.216 19751 7422 1 12 . 1 1 80 80 THR C C 80 177.034 177.034 176.478 0.556 19751 7423 1 12 . 1 1 80 80 THR CA C 80 66.139 66.139 65.449 0.690 19751 7424 1 12 . 1 1 80 80 THR CB C 80 69.243 69.243 69.105 0.138 19751 7425 1 12 . 1 1 80 80 THR H H 80 8.111 8.111 8.140 -0.029 19751 7426 1 12 . 1 1 81 81 ARG N N 81 121.321 121.321 120.352 0.969 19751 7427 1 12 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.138 -0.195 19751 7428 1 12 . 1 1 81 81 ARG C C 81 177.546 177.546 178.113 -0.567 19751 7429 1 12 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.359 0.681 19751 7430 1 12 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.328 0.395 19751 7431 1 12 . 1 1 81 81 ARG H H 81 7.893 7.893 7.699 0.194 19751 7432 1 12 . 1 1 82 82 HIS N N 82 113.320 113.320 114.385 -1.065 19751 7433 1 12 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.568 0.141 19751 7434 1 12 . 1 1 82 82 HIS C C 82 174.918 174.918 176.327 -1.409 19751 7435 1 12 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.105 -0.943 19751 7436 1 12 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.422 1.085 19751 7437 1 12 . 1 1 82 82 HIS H H 82 7.684 7.684 7.918 -0.234 19751 7438 1 12 . 1 1 83 83 GLY N N 83 109.763 109.763 106.776 2.987 19751 7439 1 12 . 1 1 83 83 GLY C C 83 174.866 174.866 174.048 0.818 19751 7440 1 12 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.986 2.291 19751 7441 1 12 . 1 1 83 83 GLY H H 83 7.707 7.707 7.741 -0.034 19751 7442 1 12 . 1 1 84 84 LEU N N 84 119.225 119.225 119.417 -0.192 19751 7443 1 12 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.529 0.305 19751 7444 1 12 . 1 1 84 84 LEU C C 84 174.880 174.880 176.423 -1.543 19751 7445 1 12 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.189 -1.320 19751 7446 1 12 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.789 2.294 19751 7447 1 12 . 1 1 84 84 LEU H H 84 8.672 8.672 7.338 1.334 19751 7448 1 12 . 1 1 85 85 ASN N N 85 117.042 117.042 117.222 -0.180 19751 7449 1 12 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.884 0.284 19751 7450 1 12 . 1 1 85 85 ASN C C 85 175.212 175.212 174.050 1.162 19751 7451 1 12 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.428 -0.570 19751 7452 1 12 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.919 -0.037 19751 7453 1 12 . 1 1 85 85 ASN H H 85 8.955 8.955 8.372 0.583 19751 7454 1 12 . 1 1 86 86 PHE N N 86 126.957 126.957 126.820 0.137 19751 7455 1 12 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.503 -0.062 19751 7456 1 12 . 1 1 86 86 PHE C C 86 173.744 173.744 174.967 -1.223 19751 7457 1 12 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.916 0.690 19751 7458 1 12 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.008 0.056 19751 7459 1 12 . 1 1 86 86 PHE H H 86 9.221 9.221 8.898 0.323 19751 7460 1 12 . 1 1 87 87 LYS N N 87 129.305 129.305 127.392 1.913 19751 7461 1 12 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.190 0.161 19751 7462 1 12 . 1 1 87 87 LYS C C 87 175.203 175.203 176.078 -0.875 19751 7463 1 12 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.246 0.451 19751 7464 1 12 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.261 0.313 19751 7465 1 12 . 1 1 87 87 LYS H H 87 8.397 8.397 8.824 -0.427 19751 7466 1 12 . 1 1 88 88 GLN N N 88 110.785 110.785 117.023 -6.238 19751 7467 1 12 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.473 -0.082 19751 7468 1 12 . 1 1 88 88 GLN C C 88 185.308 185.308 173.802 11.506 19751 7469 1 12 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.829 -0.076 19751 7470 1 12 . 1 1 88 88 GLN H H 88 6.855 6.855 7.963 -1.108 19751 7471 1 12 . 1 1 89 89 SER N N 89 113.927 113.927 115.102 -1.175 19751 7472 1 12 . 1 1 89 89 SER HA H 89 5.298 5.298 5.198 0.100 19751 7473 1 12 . 1 1 89 89 SER C C 89 173.757 173.757 173.770 -0.013 19751 7474 1 12 . 1 1 89 89 SER CA C 89 56.776 56.776 57.279 -0.503 19751 7475 1 12 . 1 1 89 89 SER CB C 89 67.417 67.417 66.374 1.042 19751 7476 1 12 . 1 1 89 89 SER H H 89 8.718 8.718 8.450 0.268 19751 7477 1 12 . 1 1 90 90 SER N N 90 114.246 114.246 117.203 -2.957 19751 7478 1 12 . 1 1 90 90 SER HA H 90 4.597 4.597 4.599 -0.002 19751 7479 1 12 . 1 1 90 90 SER CA C 90 58.356 58.356 57.723 0.633 19751 7480 1 12 . 1 1 90 90 SER CB C 90 63.952 63.952 63.235 0.717 19751 7481 1 12 . 1 1 90 90 SER H H 90 8.479 8.479 8.844 -0.364 19751 7482 1 12 . 1 1 91 91 GLY N N 91 116.101 116.101 108.685 7.416 19751 7483 1 12 . 1 1 91 91 GLY C C 91 174.853 174.853 175.054 -0.201 19751 7484 1 12 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.089 2.066 19751 7485 1 12 . 1 1 91 91 GLY H H 91 8.490 8.490 8.395 0.095 19751 7486 1 12 . 1 1 92 92 GLY N N 92 107.199 107.199 107.563 -0.364 19751 7487 1 12 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.057 -0.391 19751 7488 1 12 . 1 1 92 92 GLY H H 92 8.914 8.914 8.211 0.703 19751 7489 1 12 . 1 1 93 93 ILE N N 93 118.958 118.958 115.974 2.984 19751 7490 1 12 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.951 -0.213 19751 7491 1 12 . 1 1 93 93 ILE C C 93 175.050 175.050 173.334 1.716 19751 7492 1 12 . 1 1 93 93 ILE CA C 93 58.535 58.535 58.519 0.016 19751 7493 1 12 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.916 -3.807 19751 7494 1 12 . 1 1 93 93 ILE H H 93 7.540 7.540 7.484 0.056 19751 7495 1 12 . 1 1 94 94 ALA N N 94 131.032 131.032 126.936 4.096 19751 7496 1 12 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.165 -0.437 19751 7497 1 12 . 1 1 94 94 ALA C C 94 174.512 174.512 177.188 -2.676 19751 7498 1 12 . 1 1 94 94 ALA CA C 94 50.438 50.438 49.946 0.492 19751 7499 1 12 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.937 1.875 19751 7500 1 12 . 1 1 94 94 ALA H H 94 9.561 9.561 9.023 0.538 19751 7501 1 12 . 1 1 95 95 LEU N N 95 123.066 123.066 124.734 -1.668 19751 7502 1 12 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.863 0.100 19751 7503 1 12 . 1 1 95 95 LEU C C 95 174.922 174.922 176.076 -1.154 19751 7504 1 12 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.477 0.038 19751 7505 1 12 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.483 2.722 19751 7506 1 12 . 1 1 95 95 LEU H H 95 8.641 8.641 8.324 0.317 19751 7507 1 12 . 1 1 96 96 LEU N N 96 124.843 124.843 124.507 0.336 19751 7508 1 12 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.898 0.273 19751 7509 1 12 . 1 1 96 96 LEU C C 96 175.059 175.059 177.055 -1.996 19751 7510 1 12 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.756 -1.117 19751 7511 1 12 . 1 1 96 96 LEU CB C 96 44.269 44.269 42.834 1.435 19751 7512 1 12 . 1 1 96 96 LEU H H 96 9.235 9.235 9.020 0.215 19751 7513 1 12 . 1 1 97 97 GLU N N 97 121.306 121.306 120.583 0.723 19751 7514 1 12 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.668 0.191 19751 7515 1 12 . 1 1 97 97 GLU C C 97 175.343 175.343 175.508 -0.165 19751 7516 1 12 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.997 0.094 19751 7517 1 12 . 1 1 97 97 GLU CB C 97 33.415 33.415 31.138 2.277 19751 7518 1 12 . 1 1 97 97 GLU H H 97 9.113 9.113 8.614 0.499 19751 7519 1 12 . 1 1 98 98 ALA N N 98 126.658 126.658 128.214 -1.556 19751 7520 1 12 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.351 0.423 19751 7521 1 12 . 1 1 98 98 ALA C C 98 176.880 176.880 176.910 -0.030 19751 7522 1 12 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.414 -0.819 19751 7523 1 12 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.873 1.510 19751 7524 1 12 . 1 1 98 98 ALA H H 98 8.731 8.731 8.610 0.121 19751 7525 1 12 . 1 1 99 99 LYS N N 99 121.674 121.674 121.303 0.371 19751 7526 1 12 . 1 1 99 99 LYS H H 99 8.636 8.636 8.048 0.588 19751 7527 1 12 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.242 0.220 19751 7528 1 12 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.876 -0.388 19751 7529 1 12 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.919 1.268 19751 7530 1 12 . 1 1 101 101 GLY N N 101 110.695 110.695 114.844 -4.149 19751 7531 1 12 . 1 1 101 101 GLY C C 101 174.676 174.676 174.469 0.207 19751 7532 1 12 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.882 0.301 19751 7533 1 12 . 1 1 101 101 GLY H H 101 8.709 8.709 8.631 0.078 19751 7534 1 12 . 1 1 102 102 THR N N 102 116.771 116.771 118.231 -1.460 19751 7535 1 12 . 1 1 102 102 THR HA H 102 4.134 4.134 4.280 -0.146 19751 7536 1 12 . 1 1 102 102 THR CA C 102 62.998 62.998 62.576 0.422 19751 7537 1 12 . 1 1 102 102 THR CB C 102 69.736 69.736 69.424 0.312 19751 7538 1 12 . 1 1 102 102 THR H H 102 7.652 7.652 7.573 0.079 19751 7539 1 12 . 1 1 103 103 ASP N N 103 125.950 125.950 127.952 -2.002 19751 7540 1 12 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.784 -0.080 19751 7541 1 12 . 1 1 103 103 ASP C C 103 175.907 175.907 177.364 -1.457 19751 7542 1 12 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.865 -1.118 19751 7543 1 12 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.008 0.979 19751 7544 1 12 . 1 1 103 103 ASP H H 103 8.849 8.849 8.725 0.124 19751 7545 1 12 . 1 1 104 104 LEU N N 104 127.195 127.195 120.110 7.085 19751 7546 1 12 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.890 -0.019 19751 7547 1 12 . 1 1 104 104 LEU C C 104 178.528 178.528 177.966 0.562 19751 7548 1 12 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.203 -0.775 19751 7549 1 12 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.254 0.928 19751 7550 1 12 . 1 1 104 104 LEU H H 104 8.464 8.464 7.542 0.922 19751 7551 1 12 . 1 1 105 105 ASN N N 105 116.748 116.748 116.945 -0.197 19751 7552 1 12 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.331 0.006 19751 7553 1 12 . 1 1 105 105 ASN C C 105 177.999 177.999 176.765 1.234 19751 7554 1 12 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.331 0.211 19751 7555 1 12 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.068 0.157 19751 7556 1 12 . 1 1 105 105 ASN H H 105 8.225 8.225 8.445 -0.220 19751 7557 1 12 . 1 1 106 106 ALA N N 106 123.704 123.704 121.164 2.540 19751 7558 1 12 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.275 -0.189 19751 7559 1 12 . 1 1 106 106 ALA C C 106 181.021 181.021 178.835 2.186 19751 7560 1 12 . 1 1 106 106 ALA CA C 106 54.884 54.884 53.844 1.040 19751 7561 1 12 . 1 1 106 106 ALA CB C 106 17.983 17.983 19.000 -1.017 19751 7562 1 12 . 1 1 106 106 ALA H H 106 7.810 7.810 7.707 0.103 19751 7563 1 12 . 1 1 107 107 ILE N N 107 118.676 118.676 119.569 -0.893 19751 7564 1 12 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.335 0.319 19751 7565 1 12 . 1 1 107 107 ILE C C 107 177.324 177.324 178.274 -0.950 19751 7566 1 12 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.862 -1.027 19751 7567 1 12 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.336 0.271 19751 7568 1 12 . 1 1 107 107 ILE H H 107 7.582 7.582 7.428 0.154 19751 7569 1 12 . 1 1 108 108 ALA N N 108 122.550 122.550 121.905 0.645 19751 7570 1 12 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.861 -0.060 19751 7571 1 12 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.422 0.656 19751 7572 1 12 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.786 0.151 19751 7573 1 12 . 1 1 108 108 ALA H H 108 8.551 8.551 7.745 0.806 19751 7574 1 12 . 1 1 109 109 THR N N 109 113.975 113.975 112.989 0.986 19751 7575 1 12 . 1 1 109 109 THR HA H 109 3.806 3.806 3.976 -0.170 19751 7576 1 12 . 1 1 109 109 THR C C 109 176.632 176.632 176.683 -0.051 19751 7577 1 12 . 1 1 109 109 THR CA C 109 67.362 67.362 66.022 1.340 19751 7578 1 12 . 1 1 109 109 THR CB C 109 68.554 68.554 68.450 0.104 19751 7579 1 12 . 1 1 109 109 THR H H 109 8.197 8.197 7.467 0.730 19751 7580 1 12 . 1 1 110 110 LYS N N 110 123.603 123.603 120.143 3.460 19751 7581 1 12 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.224 -0.147 19751 7582 1 12 . 1 1 110 110 LYS C C 110 179.640 179.640 177.455 2.185 19751 7583 1 12 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.960 1.405 19751 7584 1 12 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.389 -0.318 19751 7585 1 12 . 1 1 110 110 LYS H H 110 7.656 7.656 7.940 -0.284 19751 7586 1 12 . 1 1 111 111 LEU N N 111 120.492 120.492 118.848 1.644 19751 7587 1 12 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.294 -0.437 19751 7588 1 12 . 1 1 111 111 LEU C C 111 179.289 179.289 178.830 0.459 19751 7589 1 12 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.324 0.791 19751 7590 1 12 . 1 1 111 111 LEU CB C 111 41.115 41.115 42.075 -0.959 19751 7591 1 12 . 1 1 111 111 LEU H H 111 8.441 8.441 7.218 1.223 19751 7592 1 12 . 1 1 112 112 LYS N N 112 120.305 120.305 118.980 1.325 19751 7593 1 12 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.244 0.197 19751 7594 1 12 . 1 1 112 112 LYS C C 112 181.574 181.574 178.724 2.850 19751 7595 1 12 . 1 1 112 112 LYS CA C 112 59.611 59.611 59.085 0.526 19751 7596 1 12 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.912 0.381 19751 7597 1 12 . 1 1 112 112 LYS H H 112 8.452 8.452 8.416 0.036 19751 7598 1 12 . 1 1 113 113 SER N N 113 116.992 116.992 113.660 3.332 19751 7599 1 12 . 1 1 113 113 SER HA H 113 4.389 4.389 4.249 0.140 19751 7600 1 12 . 1 1 113 113 SER C C 113 175.200 175.200 176.018 -0.818 19751 7601 1 12 . 1 1 113 113 SER CA C 113 61.260 61.260 60.625 0.635 19751 7602 1 12 . 1 1 113 113 SER CB C 113 62.863 62.863 63.078 -0.215 19751 7603 1 12 . 1 1 113 113 SER H H 113 7.995 7.995 7.787 0.208 19751 7604 1 12 . 1 1 114 114 GLU N N 114 120.677 120.677 118.274 2.403 19751 7605 1 12 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.367 0.064 19751 7606 1 12 . 1 1 114 114 GLU C C 114 176.506 176.506 176.757 -0.251 19751 7607 1 12 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.582 -0.270 19751 7608 1 12 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.594 -1.197 19751 7609 1 12 . 1 1 114 114 GLU H H 114 7.577 7.577 8.171 -0.594 19751 7610 1 12 . 1 1 115 115 GLY N N 115 107.383 107.383 107.977 -0.594 19751 7611 1 12 . 1 1 115 115 GLY C C 115 174.019 174.019 173.580 0.439 19751 7612 1 12 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.585 0.913 19751 7613 1 12 . 1 1 115 115 GLY H H 115 7.947 7.947 7.731 0.216 19751 7614 1 12 . 1 1 116 116 VAL N N 116 121.389 121.389 120.404 0.985 19751 7615 1 12 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.369 -0.237 19751 7616 1 12 . 1 1 116 116 VAL C C 116 175.092 175.092 174.158 0.934 19751 7617 1 12 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.366 0.711 19751 7618 1 12 . 1 1 116 116 VAL CB C 116 33.043 33.043 34.081 -1.038 19751 7619 1 12 . 1 1 116 116 VAL H H 116 7.704 7.704 7.385 0.319 19751 7620 1 12 . 1 1 117 117 ASN N N 117 125.670 125.670 125.845 -0.175 19751 7621 1 12 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.921 -0.127 19751 7622 1 12 . 1 1 117 117 ASN C C 117 173.847 173.847 173.987 -0.140 19751 7623 1 12 . 1 1 117 117 ASN CA C 117 53.204 53.204 52.450 0.754 19751 7624 1 12 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.617 -0.616 19751 7625 1 12 . 1 1 117 117 ASN H H 117 9.161 9.161 8.661 0.500 19751 7626 1 12 . 1 1 118 118 VAL N N 118 121.648 121.648 119.330 2.318 19751 7627 1 12 . 1 1 118 118 VAL HA H 118 5.273 5.273 4.920 0.353 19751 7628 1 12 . 1 1 118 118 VAL C C 118 173.553 173.553 174.266 -0.713 19751 7629 1 12 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.570 -1.065 19751 7630 1 12 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.264 -0.175 19751 7631 1 12 . 1 1 118 118 VAL H H 118 7.811 7.811 8.025 -0.214 19751 7632 1 12 . 1 1 119 119 GLN N N 119 124.298 124.298 120.425 3.873 19751 7633 1 12 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.667 -0.014 19751 7634 1 12 . 1 1 119 119 GLN C C 119 174.263 174.263 174.408 -0.145 19751 7635 1 12 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.211 0.032 19751 7636 1 12 . 1 1 119 119 GLN CB C 119 32.526 32.526 33.146 -0.620 19751 7637 1 12 . 1 1 119 119 GLN H H 119 8.746 8.746 8.407 0.339 19751 7638 1 12 . 1 1 120 120 ILE N N 120 122.997 122.997 125.869 -2.872 19751 7639 1 12 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.295 0.153 19751 7640 1 12 . 1 1 120 120 ILE C C 120 175.616 175.616 175.610 0.006 19751 7641 1 12 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.816 1.141 19751 7642 1 12 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.538 3.392 19751 7643 1 12 . 1 1 120 120 ILE H H 120 8.670 8.670 8.543 0.127 19751 7644 1 12 . 1 1 121 121 GLU N N 121 128.460 128.460 127.628 0.832 19751 7645 1 12 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.503 -0.008 19751 7646 1 12 . 1 1 121 121 GLU C C 121 175.490 175.490 174.418 1.072 19751 7647 1 12 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.845 0.804 19751 7648 1 12 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.383 -1.193 19751 7649 1 12 . 1 1 121 121 GLU H H 121 8.641 8.641 8.408 0.233 19751 7650 1 12 . 1 1 122 122 LEU N N 122 126.756 126.756 120.877 5.879 19751 7651 1 12 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.645 -0.066 19751 7652 1 12 . 1 1 122 122 LEU C C 122 177.291 177.291 177.100 0.191 19751 7653 1 12 . 1 1 122 122 LEU CA C 122 54.512 54.512 54.075 0.437 19751 7654 1 12 . 1 1 122 122 LEU CB C 122 42.422 42.422 45.091 -2.669 19751 7655 1 12 . 1 1 122 122 LEU H H 122 8.642 8.642 8.379 0.263 19751 7656 1 12 . 1 1 123 123 SER N N 123 117.273 117.273 118.004 -0.731 19751 7657 1 12 . 1 1 123 123 SER HA H 123 4.430 4.430 4.521 -0.091 19751 7658 1 12 . 1 1 123 123 SER C C 123 175.066 175.066 174.457 0.609 19751 7659 1 12 . 1 1 123 123 SER CA C 123 58.499 58.499 58.004 0.495 19751 7660 1 12 . 1 1 123 123 SER CB C 123 63.946 63.946 62.250 1.696 19751 7661 1 12 . 1 1 123 123 SER H H 123 8.496 8.496 8.744 -0.248 19751 7662 1 12 . 1 1 124 124 GLY N N 124 111.280 111.280 109.437 1.843 19751 7663 1 12 . 1 1 124 124 GLY C C 124 174.099 174.099 173.515 0.584 19751 7664 1 12 . 1 1 124 124 GLY CA C 124 45.379 45.379 45.619 -0.240 19751 7665 1 12 . 1 1 124 124 GLY H H 124 8.566 8.566 7.655 0.911 19751 7666 1 12 . 1 1 125 125 ALA N N 125 123.586 123.586 121.917 1.669 19751 7667 1 12 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.573 -0.266 19751 7668 1 12 . 1 1 125 125 ALA C C 125 177.915 177.915 176.773 1.142 19751 7669 1 12 . 1 1 125 125 ALA CA C 125 52.617 52.617 52.559 0.058 19751 7670 1 12 . 1 1 125 125 ALA CB C 125 19.308 19.308 20.026 -0.718 19751 7671 1 12 . 1 1 125 125 ALA H H 125 8.158 8.158 8.299 -0.141 19751 7672 1 12 . 1 1 126 126 GLU N N 126 120.076 120.076 118.997 1.079 19751 7673 1 12 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.588 -0.237 19751 7674 1 12 . 1 1 126 126 GLU C C 126 176.544 176.544 175.488 1.056 19751 7675 1 12 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.621 1.262 19751 7676 1 12 . 1 1 126 126 GLU CB C 126 30.610 30.610 31.004 -0.394 19751 7677 1 12 . 1 1 126 126 GLU H H 126 8.524 8.524 8.052 0.472 19751 7678 1 12 . 1 1 127 127 GLN N N 127 121.453 121.453 120.063 1.390 19751 7679 1 12 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.542 -0.235 19751 7680 1 12 . 1 1 127 127 GLN C C 127 175.691 175.691 175.448 0.243 19751 7681 1 12 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.402 0.178 19751 7682 1 12 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.942 -0.239 19751 7683 1 12 . 1 1 127 127 GLN H H 127 8.356 8.356 8.401 -0.045 19751 7684 1 12 . 1 1 128 128 GLN N N 128 122.570 122.570 121.205 1.365 19751 7685 1 12 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.676 -0.091 19751 7686 1 12 . 1 1 128 128 GLN CA C 128 53.744 53.744 54.229 -0.485 19751 7687 1 12 . 1 1 128 128 GLN CB C 128 28.864 28.864 28.725 0.139 19751 7688 1 12 . 1 1 128 128 GLN H H 128 8.348 8.348 8.610 -0.262 19751 7689 1 12 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.477 -0.076 19751 7690 1 12 . 1 1 129 129 PRO C C 129 175.988 175.988 177.321 -1.333 19751 7691 1 12 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.490 0.959 19751 7692 1 12 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.355 -0.398 19751 7693 1 13 . 1 1 2 2 GLU N N 2 122.196 122.196 120.355 1.841 19751 7694 1 13 . 1 1 2 2 GLU HA H 2 4.235 4.235 5.106 -0.871 19751 7695 1 13 . 1 1 2 2 GLU C C 2 175.712 175.712 174.759 0.953 19751 7696 1 13 . 1 1 2 2 GLU CA C 2 56.632 56.632 55.459 1.173 19751 7697 1 13 . 1 1 2 2 GLU CB C 2 29.971 29.971 31.592 -1.621 19751 7698 1 13 . 1 1 2 2 GLU H H 2 8.617 8.617 8.701 -0.084 19751 7699 1 13 . 1 1 3 3 SER N N 3 116.623 116.623 114.617 2.006 19751 7700 1 13 . 1 1 3 3 SER HA H 3 4.597 4.597 4.704 -0.107 19751 7701 1 13 . 1 1 3 3 SER C C 3 174.294 174.294 172.889 1.405 19751 7702 1 13 . 1 1 3 3 SER CA C 3 58.386 58.386 57.821 0.565 19751 7703 1 13 . 1 1 3 3 SER CB C 3 64.039 64.039 64.228 -0.189 19751 7704 1 13 . 1 1 3 3 SER H H 3 8.305 8.305 8.411 -0.106 19751 7705 1 13 . 1 1 4 4 VAL N N 4 121.759 121.759 127.292 -5.533 19751 7706 1 13 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.277 0.032 19751 7707 1 13 . 1 1 4 4 VAL C C 4 176.177 176.177 174.950 1.227 19751 7708 1 13 . 1 1 4 4 VAL CA C 4 61.709 61.709 61.937 -0.228 19751 7709 1 13 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.305 1.050 19751 7710 1 13 . 1 1 4 4 VAL H H 4 8.303 8.303 8.448 -0.145 19751 7711 1 13 . 1 1 5 5 THR N N 5 118.335 118.335 120.409 -2.074 19751 7712 1 13 . 1 1 5 5 THR HA H 5 4.592 4.592 4.533 0.059 19751 7713 1 13 . 1 1 5 5 THR C C 5 173.579 173.579 173.449 0.130 19751 7714 1 13 . 1 1 5 5 THR CA C 5 62.022 62.022 61.806 0.216 19751 7715 1 13 . 1 1 5 5 THR CB C 5 70.047 70.047 69.692 0.355 19751 7716 1 13 . 1 1 5 5 THR H H 5 8.319 8.319 8.208 0.111 19751 7717 1 13 . 1 1 6 6 MET N N 6 123.858 123.858 122.906 0.952 19751 7718 1 13 . 1 1 6 6 MET CA C 6 57.260 57.260 54.779 2.482 19751 7719 1 13 . 1 1 6 6 MET CB C 6 33.780 33.780 35.264 -1.484 19751 7720 1 13 . 1 1 6 6 MET H H 6 8.035 8.035 8.364 -0.329 19751 7721 1 13 . 1 1 7 7 ASP HA H 7 4.497 4.497 5.456 -0.959 19751 7722 1 13 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.102 1.048 19751 7723 1 13 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.328 -1.065 19751 7724 1 13 . 1 1 8 8 GLY N N 8 114.130 114.130 107.329 6.801 19751 7725 1 13 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.508 1.105 19751 7726 1 13 . 1 1 8 8 GLY H H 8 8.386 8.386 9.060 -0.674 19751 7727 1 13 . 1 1 9 9 LYS N N 9 120.803 120.803 119.688 1.115 19751 7728 1 13 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.544 -0.200 19751 7729 1 13 . 1 1 9 9 LYS H H 9 8.021 8.021 8.432 -0.411 19751 7730 1 13 . 1 1 10 10 GLN N N 10 120.522 120.522 121.347 -0.825 19751 7731 1 13 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.610 -0.143 19751 7732 1 13 . 1 1 10 10 GLN CA C 10 55.281 55.281 56.030 -0.749 19751 7733 1 13 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.303 0.107 19751 7734 1 13 . 1 1 10 10 GLN H H 10 8.246 8.246 8.701 -0.455 19751 7735 1 13 . 1 1 11 11 TYR N N 11 121.213 121.213 121.673 -0.460 19751 7736 1 13 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.789 -0.490 19751 7737 1 13 . 1 1 11 11 TYR CA C 11 56.949 56.949 56.738 0.211 19751 7738 1 13 . 1 1 11 11 TYR CB C 11 43.274 43.274 39.266 4.008 19751 7739 1 13 . 1 1 11 11 TYR H H 11 8.873 8.873 8.071 0.802 19751 7740 1 13 . 1 1 12 12 SER N N 12 117.406 117.406 121.027 -3.621 19751 7741 1 13 . 1 1 12 12 SER HA H 12 4.715 4.715 4.773 -0.058 19751 7742 1 13 . 1 1 12 12 SER CA C 12 57.374 57.374 57.889 -0.515 19751 7743 1 13 . 1 1 12 12 SER CB C 12 63.946 63.946 62.925 1.021 19751 7744 1 13 . 1 1 12 12 SER H H 12 9.047 9.047 8.779 0.268 19751 7745 1 13 . 1 1 13 13 THR N N 13 112.091 112.091 122.046 -9.955 19751 7746 1 13 . 1 1 13 13 THR HA H 13 4.929 4.929 4.598 0.331 19751 7747 1 13 . 1 1 13 13 THR CA C 13 60.716 60.716 62.029 -1.313 19751 7748 1 13 . 1 1 13 13 THR CB C 13 71.808 71.808 70.618 1.190 19751 7749 1 13 . 1 1 13 13 THR H H 13 8.235 8.235 8.478 -0.243 19751 7750 1 13 . 1 1 14 14 ILE N N 14 120.891 120.891 124.773 -3.882 19751 7751 1 13 . 1 1 14 14 ILE H H 14 9.108 9.108 8.478 0.630 19751 7752 1 13 . 1 1 15 15 GLU N N 15 127.598 127.598 127.770 -0.172 19751 7753 1 13 . 1 1 15 15 GLU H H 15 8.300 8.300 8.721 -0.421 19751 7754 1 13 . 1 1 16 16 VAL N N 16 126.224 126.224 120.003 6.221 19751 7755 1 13 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.388 -0.104 19751 7756 1 13 . 1 1 16 16 VAL CA C 16 61.835 61.835 60.919 0.916 19751 7757 1 13 . 1 1 16 16 VAL CB C 16 34.896 34.896 32.490 2.405 19751 7758 1 13 . 1 1 16 16 VAL H H 16 9.320 9.320 8.541 0.779 19751 7759 1 13 . 1 1 17 17 ASN N N 17 123.394 123.394 125.661 -2.267 19751 7760 1 13 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.375 0.789 19751 7761 1 13 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.765 -0.216 19751 7762 1 13 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.768 -0.553 19751 7763 1 13 . 1 1 17 17 ASN H H 17 9.310 9.310 9.188 0.122 19751 7764 1 13 . 1 1 18 18 GLY H H 18 9.024 9.024 8.208 0.816 19751 7765 1 13 . 1 1 19 19 GLN N N 19 119.994 119.994 118.758 1.236 19751 7766 1 13 . 1 1 19 19 GLN H H 19 7.990 7.990 7.660 0.330 19751 7767 1 13 . 1 1 20 20 THR N N 20 117.472 117.472 120.934 -3.462 19751 7768 1 13 . 1 1 20 20 THR HA H 20 4.384 4.384 4.629 -0.245 19751 7769 1 13 . 1 1 20 20 THR CA C 20 63.334 63.334 61.833 1.501 19751 7770 1 13 . 1 1 20 20 THR CB C 20 69.401 69.401 69.009 0.392 19751 7771 1 13 . 1 1 20 20 THR H H 20 8.401 8.401 8.716 -0.315 19751 7772 1 13 . 1 1 21 21 TYR N N 21 126.847 126.847 125.934 0.913 19751 7773 1 13 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.732 -0.570 19751 7774 1 13 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.172 0.315 19751 7775 1 13 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.097 4.233 19751 7776 1 13 . 1 1 21 21 TYR H H 21 9.367 9.367 8.429 0.938 19751 7777 1 13 . 1 1 22 22 LEU N N 22 118.537 118.537 128.003 -9.466 19751 7778 1 13 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.853 -0.660 19751 7779 1 13 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.419 2.503 19751 7780 1 13 . 1 1 22 22 LEU CB C 22 43.212 43.212 42.764 0.448 19751 7781 1 13 . 1 1 22 22 LEU H H 22 9.060 9.060 8.491 0.569 19751 7782 1 13 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.466 -0.075 19751 7783 1 13 . 1 1 24 24 PRO CA C 24 63.334 63.334 63.075 0.259 19751 7784 1 13 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.227 -0.087 19751 7785 1 13 . 1 1 25 25 ASP N N 25 121.554 121.554 122.389 -0.835 19751 7786 1 13 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.703 -0.111 19751 7787 1 13 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.727 0.581 19751 7788 1 13 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.517 -0.430 19751 7789 1 13 . 1 1 25 25 ASP H H 25 8.324 8.324 8.546 -0.222 19751 7790 1 13 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.944 -0.205 19751 7791 1 13 . 1 1 26 26 ASN CA C 26 52.656 52.656 52.840 -0.184 19751 7792 1 13 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.788 -0.656 19751 7793 1 13 . 1 1 27 27 GLY N N 27 109.206 109.206 109.662 -0.456 19751 7794 1 13 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.615 0.799 19751 7795 1 13 . 1 1 27 27 GLY H H 27 8.494 8.494 8.413 0.081 19751 7796 1 13 . 1 1 28 28 SER N N 28 116.238 116.238 116.820 -0.582 19751 7797 1 13 . 1 1 28 28 SER HA H 28 4.384 4.384 5.182 -0.798 19751 7798 1 13 . 1 1 28 28 SER CA C 28 60.226 60.226 57.408 2.818 19751 7799 1 13 . 1 1 28 28 SER CB C 28 63.818 63.818 65.667 -1.849 19751 7800 1 13 . 1 1 28 28 SER H H 28 8.372 8.372 8.716 -0.344 19751 7801 1 13 . 1 1 29 29 LYS N N 29 121.905 121.905 121.735 0.170 19751 7802 1 13 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.608 -0.277 19751 7803 1 13 . 1 1 29 29 LYS CA C 29 56.353 56.353 55.605 0.748 19751 7804 1 13 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.599 -0.252 19751 7805 1 13 . 1 1 29 29 LYS H H 29 8.027 8.027 8.398 -0.371 19751 7806 1 13 . 1 1 30 30 LYS N N 30 122.663 122.663 121.556 1.107 19751 7807 1 13 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.536 -0.242 19751 7808 1 13 . 1 1 30 30 LYS CA C 30 56.214 56.214 56.792 -0.578 19751 7809 1 13 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.363 -0.192 19751 7810 1 13 . 1 1 30 30 LYS H H 30 8.223 8.223 8.587 -0.364 19751 7811 1 13 . 1 1 31 31 ARG N N 31 123.469 123.469 122.489 0.980 19751 7812 1 13 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.688 -0.333 19751 7813 1 13 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.654 0.641 19751 7814 1 13 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.383 0.471 19751 7815 1 13 . 1 1 31 31 ARG H H 31 8.404 8.404 8.552 -0.148 19751 7816 1 13 . 1 1 32 32 VAL N N 32 122.456 122.456 120.878 1.578 19751 7817 1 13 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.833 -0.590 19751 7818 1 13 . 1 1 32 32 VAL CA C 32 62.316 62.316 61.858 0.458 19751 7819 1 13 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.966 -1.103 19751 7820 1 13 . 1 1 32 32 VAL H H 32 8.214 8.214 9.129 -0.915 19751 7821 1 13 . 1 1 33 33 ALA N N 33 127.685 127.685 129.858 -2.173 19751 7822 1 13 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.960 -0.658 19751 7823 1 13 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.954 0.663 19751 7824 1 13 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.760 -1.452 19751 7825 1 13 . 1 1 33 33 ALA H H 33 8.374 8.374 8.422 -0.048 19751 7826 1 13 . 1 1 34 34 ARG N N 34 119.922 119.922 119.348 0.574 19751 7827 1 13 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.532 -0.209 19751 7828 1 13 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.940 0.880 19751 7829 1 13 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.240 -1.080 19751 7830 1 13 . 1 1 34 34 ARG H H 34 8.652 8.652 8.206 0.446 19751 7831 1 13 . 1 1 35 35 SER N N 35 116.881 116.881 119.038 -2.157 19751 7832 1 13 . 1 1 35 35 SER HA H 35 4.543 4.543 4.652 -0.109 19751 7833 1 13 . 1 1 35 35 SER CA C 35 58.440 58.440 58.331 0.109 19751 7834 1 13 . 1 1 35 35 SER CB C 35 64.094 64.094 64.292 -0.198 19751 7835 1 13 . 1 1 35 35 SER H H 35 8.359 8.359 8.794 -0.435 19751 7836 1 13 . 1 1 36 36 LEU N N 36 124.595 124.595 126.606 -2.011 19751 7837 1 13 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.726 -0.353 19751 7838 1 13 . 1 1 36 36 LEU CA C 36 55.594 55.594 54.867 0.727 19751 7839 1 13 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.267 -0.989 19751 7840 1 13 . 1 1 36 36 LEU H H 36 8.546 8.546 8.572 -0.026 19751 7841 1 13 . 1 1 37 37 ASP N N 37 119.422 119.422 123.154 -3.732 19751 7842 1 13 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.125 -0.533 19751 7843 1 13 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.557 0.751 19751 7844 1 13 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.756 -1.574 19751 7845 1 13 . 1 1 37 37 ASP H H 37 8.186 8.186 8.612 -0.426 19751 7846 1 13 . 1 1 38 38 SER N N 38 116.413 116.413 117.737 -1.324 19751 7847 1 13 . 1 1 38 38 SER HA H 38 4.450 4.450 4.707 -0.257 19751 7848 1 13 . 1 1 38 38 SER CA C 38 58.499 58.499 59.118 -0.619 19751 7849 1 13 . 1 1 38 38 SER CB C 38 63.818 63.818 63.513 0.305 19751 7850 1 13 . 1 1 38 38 SER H H 38 8.177 8.177 8.720 -0.543 19751 7851 1 13 . 1 1 39 39 LYS N N 39 123.095 123.095 123.932 -0.837 19751 7852 1 13 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.617 -0.280 19751 7853 1 13 . 1 1 39 39 LYS CA C 39 56.679 56.679 56.327 0.353 19751 7854 1 13 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.548 -1.316 19751 7855 1 13 . 1 1 39 39 LYS H H 39 8.379 8.379 8.390 -0.011 19751 7856 1 13 . 1 1 40 40 VAL N N 40 122.475 122.475 121.094 1.381 19751 7857 1 13 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.231 0.157 19751 7858 1 13 . 1 1 40 40 VAL CA C 40 60.161 60.161 60.841 -0.680 19751 7859 1 13 . 1 1 40 40 VAL CB C 40 32.615 32.615 33.186 -0.571 19751 7860 1 13 . 1 1 40 40 VAL H H 40 8.069 8.069 8.475 -0.406 19751 7861 1 13 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.601 -0.180 19751 7862 1 13 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.326 -0.568 19751 7863 1 13 . 1 1 41 41 PRO CB C 41 32.307 32.307 31.772 0.535 19751 7864 1 13 . 1 1 42 42 GLN N N 42 121.230 121.230 120.937 0.293 19751 7865 1 13 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.490 -0.211 19751 7866 1 13 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.474 0.554 19751 7867 1 13 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.251 -0.532 19751 7868 1 13 . 1 1 42 42 GLN H H 42 8.482 8.482 8.534 -0.052 19751 7869 1 13 . 1 1 43 43 GLN N N 43 121.831 121.831 123.447 -1.616 19751 7870 1 13 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.636 -0.247 19751 7871 1 13 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.208 -0.284 19751 7872 1 13 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.873 -1.344 19751 7873 1 13 . 1 1 43 43 GLN H H 43 8.506 8.506 9.177 -0.671 19751 7874 1 13 . 1 1 44 44 THR N N 44 116.251 116.251 116.317 -0.066 19751 7875 1 13 . 1 1 44 44 THR HA H 44 4.302 4.302 5.002 -0.700 19751 7876 1 13 . 1 1 44 44 THR CA C 44 61.922 61.922 61.001 0.921 19751 7877 1 13 . 1 1 44 44 THR CB C 44 69.811 69.811 71.442 -1.631 19751 7878 1 13 . 1 1 44 44 THR H H 44 8.231 8.231 8.505 -0.274 19751 7879 1 13 . 1 1 45 45 LEU N N 45 125.046 125.046 123.453 1.593 19751 7880 1 13 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.695 -0.197 19751 7881 1 13 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.537 0.570 19751 7882 1 13 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.366 -0.554 19751 7883 1 13 . 1 1 45 45 LEU H H 45 8.257 8.257 8.973 -0.716 19751 7884 1 13 . 1 1 46 46 ARG N N 46 120.522 120.522 124.485 -3.963 19751 7885 1 13 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.605 -0.372 19751 7886 1 13 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.362 1.102 19751 7887 1 13 . 1 1 46 46 ARG CB C 46 29.971 29.971 31.355 -1.384 19751 7888 1 13 . 1 1 46 46 ARG H H 46 8.007 8.007 8.427 -0.420 19751 7889 1 13 . 1 1 47 47 ARG N N 47 121.010 121.010 120.761 0.249 19751 7890 1 13 . 1 1 47 47 ARG H H 47 8.324 8.324 8.554 -0.230 19751 7891 1 13 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.633 0.707 19751 7892 1 13 . 1 1 49 49 ASP N N 49 120.513 120.513 120.289 0.224 19751 7893 1 13 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.787 -0.168 19751 7894 1 13 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.296 1.034 19751 7895 1 13 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.160 -0.997 19751 7896 1 13 . 1 1 49 49 ASP H H 49 8.225 8.225 7.880 0.345 19751 7897 1 13 . 1 1 50 50 VAL N N 50 119.718 119.718 123.173 -3.455 19751 7898 1 13 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.315 -0.243 19751 7899 1 13 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.847 0.555 19751 7900 1 13 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.181 -0.388 19751 7901 1 13 . 1 1 50 50 VAL H H 50 8.024 8.024 8.494 -0.470 19751 7902 1 13 . 1 1 51 51 LEU N N 51 125.249 125.249 126.495 -1.246 19751 7903 1 13 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.709 -0.363 19751 7904 1 13 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.132 0.238 19751 7905 1 13 . 1 1 51 51 LEU CB C 51 42.379 42.379 42.615 -0.236 19751 7906 1 13 . 1 1 51 51 LEU H H 51 8.305 8.305 8.372 -0.067 19751 7907 1 13 . 1 1 52 52 MET HA H 52 4.458 4.458 4.717 -0.259 19751 7908 1 13 . 1 1 52 52 MET CA C 52 55.417 55.417 55.042 0.374 19751 7909 1 13 . 1 1 52 52 MET CB C 52 32.264 32.264 34.438 -2.174 19751 7910 1 13 . 1 1 53 53 GLN N N 53 121.447 121.447 121.243 0.204 19751 7911 1 13 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.523 -0.216 19751 7912 1 13 . 1 1 53 53 GLN CA C 53 56.214 56.214 56.650 -0.436 19751 7913 1 13 . 1 1 53 53 GLN CB C 53 29.697 29.697 29.789 -0.092 19751 7914 1 13 . 1 1 53 53 GLN H H 53 8.373 8.373 8.937 -0.564 19751 7915 1 13 . 1 1 54 54 GLY N N 54 110.484 110.484 109.285 1.199 19751 7916 1 13 . 1 1 54 54 GLY CA C 54 45.250 45.250 44.812 0.438 19751 7917 1 13 . 1 1 54 54 GLY H H 54 8.456 8.456 8.699 -0.243 19751 7918 1 13 . 1 1 55 55 ALA N N 55 123.673 123.673 123.815 -0.142 19751 7919 1 13 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.742 -0.435 19751 7920 1 13 . 1 1 55 55 ALA C C 55 177.397 177.397 176.482 0.915 19751 7921 1 13 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.052 0.565 19751 7922 1 13 . 1 1 55 55 ALA CB C 55 19.308 19.308 19.285 0.023 19751 7923 1 13 . 1 1 55 55 ALA H H 55 8.113 8.113 8.186 -0.073 19751 7924 1 13 . 1 1 56 56 ALA N N 56 123.295 123.295 125.037 -1.742 19751 7925 1 13 . 1 1 56 56 ALA HA H 56 4.303 4.303 4.480 -0.177 19751 7926 1 13 . 1 1 56 56 ALA C C 56 177.446 177.446 175.621 1.825 19751 7927 1 13 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.953 0.480 19751 7928 1 13 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.162 -0.854 19751 7929 1 13 . 1 1 56 56 ALA H H 56 8.297 8.297 8.354 -0.057 19751 7930 1 13 . 1 1 57 57 SER N N 57 116.534 116.534 118.076 -1.542 19751 7931 1 13 . 1 1 57 57 SER HA H 57 4.737 4.737 4.613 0.124 19751 7932 1 13 . 1 1 57 57 SER CA C 57 56.332 56.332 57.407 -1.075 19751 7933 1 13 . 1 1 57 57 SER CB C 57 63.567 63.567 63.377 0.190 19751 7934 1 13 . 1 1 57 57 SER H H 57 8.258 8.258 8.397 -0.139 19751 7935 1 13 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.615 -0.213 19751 7936 1 13 . 1 1 58 58 PRO C C 58 176.874 176.874 176.060 0.814 19751 7937 1 13 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.456 -0.099 19751 7938 1 13 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.343 -0.308 19751 7939 1 13 . 1 1 59 59 GLU N N 59 120.545 120.545 121.083 -0.538 19751 7940 1 13 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.733 -0.497 19751 7941 1 13 . 1 1 59 59 GLU C C 59 176.383 176.383 174.969 1.414 19751 7942 1 13 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.892 0.683 19751 7943 1 13 . 1 1 59 59 GLU CB C 59 30.103 30.103 30.851 -0.748 19751 7944 1 13 . 1 1 59 59 GLU H H 59 8.556 8.556 8.566 -0.010 19751 7945 1 13 . 1 1 60 60 LEU N N 60 122.946 122.946 120.143 2.803 19751 7946 1 13 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.777 -0.333 19751 7947 1 13 . 1 1 60 60 LEU C C 60 177.201 177.201 175.600 1.601 19751 7948 1 13 . 1 1 60 60 LEU CA C 60 55.120 55.120 55.092 0.028 19751 7949 1 13 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.990 -1.702 19751 7950 1 13 . 1 1 60 60 LEU H H 60 8.205 8.205 8.574 -0.369 19751 7951 1 13 . 1 1 61 61 THR N N 61 115.168 115.168 116.516 -1.348 19751 7952 1 13 . 1 1 61 61 THR HA H 61 4.380 4.380 4.503 -0.123 19751 7953 1 13 . 1 1 61 61 THR C C 61 174.201 174.201 173.020 1.181 19751 7954 1 13 . 1 1 61 61 THR CA C 61 61.792 61.792 62.850 -1.058 19751 7955 1 13 . 1 1 61 61 THR CB C 61 69.770 69.770 69.566 0.204 19751 7956 1 13 . 1 1 61 61 THR H H 61 8.149 8.149 8.366 -0.217 19751 7957 1 13 . 1 1 62 62 VAL N N 62 121.650 121.650 127.360 -5.710 19751 7958 1 13 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.486 -0.167 19751 7959 1 13 . 1 1 62 62 VAL C C 62 175.921 175.921 174.212 1.709 19751 7960 1 13 . 1 1 62 62 VAL CA C 62 61.709 61.709 60.787 0.922 19751 7961 1 13 . 1 1 62 62 VAL CB C 62 33.355 33.355 35.532 -2.177 19751 7962 1 13 . 1 1 62 62 VAL H H 62 8.091 8.091 8.181 -0.090 19751 7963 1 13 . 1 1 63 63 SER N N 63 120.076 120.076 118.931 1.145 19751 7964 1 13 . 1 1 63 63 SER HA H 63 4.542 4.542 4.578 -0.036 19751 7965 1 13 . 1 1 63 63 SER C C 63 174.254 174.254 173.205 1.049 19751 7966 1 13 . 1 1 63 63 SER CA C 63 58.375 58.375 58.056 0.319 19751 7967 1 13 . 1 1 63 63 SER CB C 63 64.196 64.196 64.939 -0.743 19751 7968 1 13 . 1 1 63 63 SER H H 63 8.524 8.524 8.417 0.107 19751 7969 1 13 . 1 1 64 64 GLY N N 64 109.912 109.912 109.916 -0.004 19751 7970 1 13 . 1 1 64 64 GLY CA C 64 45.384 45.384 46.024 -0.640 19751 7971 1 13 . 1 1 64 64 GLY H H 64 8.255 8.255 8.459 -0.204 19751 7972 1 13 . 1 1 65 65 THR N N 65 114.200 114.200 116.251 -2.051 19751 7973 1 13 . 1 1 65 65 THR HA H 65 4.929 4.929 5.200 -0.271 19751 7974 1 13 . 1 1 65 65 THR CA C 65 60.826 60.826 61.805 -0.979 19751 7975 1 13 . 1 1 65 65 THR CB C 65 71.805 71.805 72.477 -0.672 19751 7976 1 13 . 1 1 65 65 THR H H 65 8.468 8.468 8.299 0.169 19751 7977 1 13 . 1 1 66 66 LEU N N 66 122.673 122.673 123.180 -0.507 19751 7978 1 13 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.851 0.070 19751 7979 1 13 . 1 1 66 66 LEU C C 66 174.364 174.364 174.316 0.048 19751 7980 1 13 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.000 -0.590 19751 7981 1 13 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.005 -1.556 19751 7982 1 13 . 1 1 66 66 LEU H H 66 9.054 9.054 8.952 0.102 19751 7983 1 13 . 1 1 67 67 LEU N N 67 124.219 124.219 126.189 -1.970 19751 7984 1 13 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.942 0.266 19751 7985 1 13 . 1 1 67 67 LEU C C 67 177.107 177.107 175.810 1.297 19751 7986 1 13 . 1 1 67 67 LEU CA C 67 53.773 53.773 53.940 -0.167 19751 7987 1 13 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.537 0.669 19751 7988 1 13 . 1 1 67 67 LEU H H 67 8.927 8.927 9.089 -0.162 19751 7989 1 13 . 1 1 68 68 VAL N N 68 121.113 121.113 124.869 -3.756 19751 7990 1 13 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.330 0.526 19751 7991 1 13 . 1 1 68 68 VAL C C 68 174.079 174.079 174.386 -0.307 19751 7992 1 13 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.407 -0.549 19751 7993 1 13 . 1 1 68 68 VAL CB C 68 35.015 35.015 35.215 -0.200 19751 7994 1 13 . 1 1 68 68 VAL H H 68 9.345 9.345 8.814 0.531 19751 7995 1 13 . 1 1 69 69 GLU N N 69 127.682 127.682 130.928 -3.246 19751 7996 1 13 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.642 0.257 19751 7997 1 13 . 1 1 69 69 GLU C C 69 173.485 173.485 174.944 -1.459 19751 7998 1 13 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.416 -1.069 19751 7999 1 13 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.830 0.141 19751 8000 1 13 . 1 1 69 69 GLU H H 69 8.110 8.110 8.503 -0.393 19751 8001 1 13 . 1 1 70 70 ALA N N 70 130.042 130.042 128.173 1.869 19751 8002 1 13 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.452 0.112 19751 8003 1 13 . 1 1 70 70 ALA C C 70 174.853 174.853 175.435 -0.582 19751 8004 1 13 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.390 0.314 19751 8005 1 13 . 1 1 70 70 ALA CB C 70 21.431 21.431 20.869 0.562 19751 8006 1 13 . 1 1 70 70 ALA H H 70 7.991 7.991 7.727 0.264 19751 8007 1 13 . 1 1 71 71 ASP N N 71 117.021 117.021 118.457 -1.436 19751 8008 1 13 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.688 -0.108 19751 8009 1 13 . 1 1 71 71 ASP C C 71 175.160 175.160 177.025 -1.865 19751 8010 1 13 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.992 -0.949 19751 8011 1 13 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.205 -1.283 19751 8012 1 13 . 1 1 71 71 ASP H H 71 8.025 8.025 8.296 -0.271 19751 8013 1 13 . 1 1 72 72 ASP N N 72 119.867 119.867 121.022 -1.155 19751 8014 1 13 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.611 0.512 19751 8015 1 13 . 1 1 72 72 ASP C C 72 177.598 177.598 177.483 0.115 19751 8016 1 13 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.463 0.994 19751 8017 1 13 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.408 -0.419 19751 8018 1 13 . 1 1 72 72 ASP H H 72 8.644 8.644 8.633 0.011 19751 8019 1 13 . 1 1 73 73 ALA N N 73 120.735 120.735 120.908 -0.173 19751 8020 1 13 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.085 -0.133 19751 8021 1 13 . 1 1 73 73 ALA C C 73 181.711 181.711 180.071 1.640 19751 8022 1 13 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.877 0.480 19751 8023 1 13 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.227 -0.406 19751 8024 1 13 . 1 1 73 73 ALA H H 73 8.212 8.212 8.258 -0.046 19751 8025 1 13 . 1 1 74 74 SER N N 74 116.971 116.971 113.984 2.987 19751 8026 1 13 . 1 1 74 74 SER HA H 74 4.207 4.207 4.257 -0.050 19751 8027 1 13 . 1 1 74 74 SER C C 74 176.918 176.918 176.252 0.666 19751 8028 1 13 . 1 1 74 74 SER CA C 74 61.632 61.632 60.157 1.475 19751 8029 1 13 . 1 1 74 74 SER CB C 74 62.233 62.233 62.819 -0.585 19751 8030 1 13 . 1 1 74 74 SER H H 74 8.376 8.376 7.373 1.003 19751 8031 1 13 . 1 1 75 75 ALA N N 75 124.844 124.844 124.884 -0.040 19751 8032 1 13 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.764 0.058 19751 8033 1 13 . 1 1 75 75 ALA C C 75 179.160 179.160 179.044 0.116 19751 8034 1 13 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.421 -0.120 19751 8035 1 13 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.699 0.813 19751 8036 1 13 . 1 1 75 75 ALA H H 75 9.121 9.121 7.718 1.403 19751 8037 1 13 . 1 1 76 76 LYS N N 76 117.821 117.821 117.862 -0.041 19751 8038 1 13 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.971 -0.166 19751 8039 1 13 . 1 1 76 76 LYS C C 76 179.175 179.175 178.513 0.662 19751 8040 1 13 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.356 0.782 19751 8041 1 13 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.792 0.570 19751 8042 1 13 . 1 1 76 76 LYS H H 76 8.306 8.306 7.709 0.597 19751 8043 1 13 . 1 1 77 77 ALA N N 77 122.703 122.703 121.836 0.867 19751 8044 1 13 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.110 0.080 19751 8045 1 13 . 1 1 77 77 ALA C C 77 180.868 180.868 179.952 0.916 19751 8046 1 13 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.682 0.470 19751 8047 1 13 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.233 -0.401 19751 8048 1 13 . 1 1 77 77 ALA H H 77 7.584 7.584 7.420 0.164 19751 8049 1 13 . 1 1 78 78 LEU N N 78 120.574 120.574 118.381 2.193 19751 8050 1 13 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.096 -0.060 19751 8051 1 13 . 1 1 78 78 LEU C C 78 178.870 178.870 179.234 -0.364 19751 8052 1 13 . 1 1 78 78 LEU CA C 78 57.888 57.888 57.114 0.775 19751 8053 1 13 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.883 0.596 19751 8054 1 13 . 1 1 78 78 LEU H H 78 8.338 8.338 7.952 0.386 19751 8055 1 13 . 1 1 79 79 ALA N N 79 121.156 121.156 121.524 -0.368 19751 8056 1 13 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.097 -0.202 19751 8057 1 13 . 1 1 79 79 ALA C C 79 179.393 179.393 179.082 0.311 19751 8058 1 13 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.391 0.369 19751 8059 1 13 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.405 -1.149 19751 8060 1 13 . 1 1 79 79 ALA H H 79 8.491 8.491 8.645 -0.154 19751 8061 1 13 . 1 1 80 80 THR N N 80 114.097 114.097 111.893 2.204 19751 8062 1 13 . 1 1 80 80 THR HA H 80 4.048 4.048 4.266 -0.218 19751 8063 1 13 . 1 1 80 80 THR C C 80 177.034 177.034 176.396 0.638 19751 8064 1 13 . 1 1 80 80 THR CA C 80 66.139 66.139 65.271 0.868 19751 8065 1 13 . 1 1 80 80 THR CB C 80 69.243 69.243 69.077 0.166 19751 8066 1 13 . 1 1 80 80 THR H H 80 8.111 8.111 7.846 0.265 19751 8067 1 13 . 1 1 81 81 ARG N N 81 121.321 121.321 120.679 0.642 19751 8068 1 13 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.181 -0.238 19751 8069 1 13 . 1 1 81 81 ARG C C 81 177.546 177.546 178.037 -0.491 19751 8070 1 13 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.279 0.761 19751 8071 1 13 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.366 0.357 19751 8072 1 13 . 1 1 81 81 ARG H H 81 7.893 7.893 7.620 0.273 19751 8073 1 13 . 1 1 82 82 HIS N N 82 113.320 113.320 114.951 -1.631 19751 8074 1 13 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.460 0.249 19751 8075 1 13 . 1 1 82 82 HIS C C 82 174.918 174.918 175.570 -0.652 19751 8076 1 13 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.000 -0.838 19751 8077 1 13 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.281 1.227 19751 8078 1 13 . 1 1 82 82 HIS H H 82 7.684 7.684 7.903 -0.219 19751 8079 1 13 . 1 1 83 83 GLY N N 83 109.763 109.763 105.249 4.514 19751 8080 1 13 . 1 1 83 83 GLY C C 83 174.866 174.866 174.156 0.710 19751 8081 1 13 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.956 2.321 19751 8082 1 13 . 1 1 83 83 GLY H H 83 7.707 7.707 7.646 0.061 19751 8083 1 13 . 1 1 84 84 LEU N N 84 119.225 119.225 119.312 -0.087 19751 8084 1 13 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.578 0.256 19751 8085 1 13 . 1 1 84 84 LEU C C 84 174.880 174.880 176.274 -1.394 19751 8086 1 13 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.002 -1.133 19751 8087 1 13 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.685 2.398 19751 8088 1 13 . 1 1 84 84 LEU H H 84 8.672 8.672 7.313 1.359 19751 8089 1 13 . 1 1 85 85 ASN N N 85 117.042 117.042 117.013 0.029 19751 8090 1 13 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.903 0.265 19751 8091 1 13 . 1 1 85 85 ASN C C 85 175.212 175.212 174.147 1.065 19751 8092 1 13 . 1 1 85 85 ASN CA C 85 51.858 51.858 51.900 -0.042 19751 8093 1 13 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.302 0.580 19751 8094 1 13 . 1 1 85 85 ASN H H 85 8.955 8.955 8.430 0.525 19751 8095 1 13 . 1 1 86 86 PHE N N 86 126.957 126.957 126.754 0.203 19751 8096 1 13 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.442 -0.001 19751 8097 1 13 . 1 1 86 86 PHE C C 86 173.744 173.744 174.888 -1.144 19751 8098 1 13 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.993 0.613 19751 8099 1 13 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.202 -0.138 19751 8100 1 13 . 1 1 86 86 PHE H H 86 9.221 9.221 8.976 0.245 19751 8101 1 13 . 1 1 87 87 LYS N N 87 129.305 129.305 128.119 1.186 19751 8102 1 13 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.153 0.198 19751 8103 1 13 . 1 1 87 87 LYS C C 87 175.203 175.203 175.849 -0.646 19751 8104 1 13 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.756 -0.059 19751 8105 1 13 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.812 -0.238 19751 8106 1 13 . 1 1 87 87 LYS H H 87 8.397 8.397 8.712 -0.315 19751 8107 1 13 . 1 1 88 88 GLN N N 88 110.785 110.785 114.809 -4.024 19751 8108 1 13 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.241 0.150 19751 8109 1 13 . 1 1 88 88 GLN C C 88 185.308 185.308 173.627 11.681 19751 8110 1 13 . 1 1 88 88 GLN CA C 88 54.753 54.753 55.064 -0.311 19751 8111 1 13 . 1 1 88 88 GLN H H 88 6.855 6.855 7.831 -0.976 19751 8112 1 13 . 1 1 89 89 SER N N 89 113.927 113.927 114.502 -0.575 19751 8113 1 13 . 1 1 89 89 SER HA H 89 5.298 5.298 5.670 -0.372 19751 8114 1 13 . 1 1 89 89 SER C C 89 173.757 173.757 173.894 -0.137 19751 8115 1 13 . 1 1 89 89 SER CA C 89 56.776 56.776 56.942 -0.166 19751 8116 1 13 . 1 1 89 89 SER CB C 89 67.417 67.417 65.844 1.573 19751 8117 1 13 . 1 1 89 89 SER H H 89 8.718 8.718 8.485 0.233 19751 8118 1 13 . 1 1 90 90 SER N N 90 114.246 114.246 118.570 -4.324 19751 8119 1 13 . 1 1 90 90 SER HA H 90 4.597 4.597 4.749 -0.152 19751 8120 1 13 . 1 1 90 90 SER CA C 90 58.356 58.356 57.653 0.703 19751 8121 1 13 . 1 1 90 90 SER CB C 90 63.952 63.952 62.908 1.044 19751 8122 1 13 . 1 1 90 90 SER H H 90 8.479 8.479 8.307 0.172 19751 8123 1 13 . 1 1 91 91 GLY N N 91 116.101 116.101 116.773 -0.672 19751 8124 1 13 . 1 1 91 91 GLY C C 91 174.853 174.853 174.779 0.074 19751 8125 1 13 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.141 2.014 19751 8126 1 13 . 1 1 91 91 GLY H H 91 8.490 8.490 8.650 -0.160 19751 8127 1 13 . 1 1 92 92 GLY N N 92 107.199 107.199 108.673 -1.474 19751 8128 1 13 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.105 -0.439 19751 8129 1 13 . 1 1 92 92 GLY H H 92 8.914 8.914 7.899 1.015 19751 8130 1 13 . 1 1 93 93 ILE N N 93 118.958 118.958 116.759 2.199 19751 8131 1 13 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.932 -0.194 19751 8132 1 13 . 1 1 93 93 ILE C C 93 175.050 175.050 173.348 1.702 19751 8133 1 13 . 1 1 93 93 ILE CA C 93 58.535 58.535 58.947 -0.412 19751 8134 1 13 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.413 -3.304 19751 8135 1 13 . 1 1 93 93 ILE H H 93 7.540 7.540 7.572 -0.032 19751 8136 1 13 . 1 1 94 94 ALA N N 94 131.032 131.032 127.804 3.228 19751 8137 1 13 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.296 -0.568 19751 8138 1 13 . 1 1 94 94 ALA C C 94 174.512 174.512 177.520 -3.008 19751 8139 1 13 . 1 1 94 94 ALA CA C 94 50.438 50.438 49.961 0.477 19751 8140 1 13 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.957 1.855 19751 8141 1 13 . 1 1 94 94 ALA H H 94 9.561 9.561 9.043 0.518 19751 8142 1 13 . 1 1 95 95 LEU N N 95 123.066 123.066 124.532 -1.466 19751 8143 1 13 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.957 0.006 19751 8144 1 13 . 1 1 95 95 LEU C C 95 174.922 174.922 176.069 -1.147 19751 8145 1 13 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.474 0.041 19751 8146 1 13 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.550 2.655 19751 8147 1 13 . 1 1 95 95 LEU H H 95 8.641 8.641 8.478 0.163 19751 8148 1 13 . 1 1 96 96 LEU N N 96 124.843 124.843 124.711 0.132 19751 8149 1 13 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.980 0.191 19751 8150 1 13 . 1 1 96 96 LEU C C 96 175.059 175.059 177.080 -2.021 19751 8151 1 13 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.647 -1.008 19751 8152 1 13 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.029 1.240 19751 8153 1 13 . 1 1 96 96 LEU H H 96 9.235 9.235 9.038 0.197 19751 8154 1 13 . 1 1 97 97 GLU N N 97 121.306 121.306 120.720 0.586 19751 8155 1 13 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.673 0.186 19751 8156 1 13 . 1 1 97 97 GLU C C 97 175.343 175.343 175.518 -0.175 19751 8157 1 13 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.895 0.196 19751 8158 1 13 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.767 2.648 19751 8159 1 13 . 1 1 97 97 GLU H H 97 9.113 9.113 8.473 0.640 19751 8160 1 13 . 1 1 98 98 ALA N N 98 126.658 126.658 128.447 -1.789 19751 8161 1 13 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.323 0.451 19751 8162 1 13 . 1 1 98 98 ALA C C 98 176.880 176.880 177.369 -0.489 19751 8163 1 13 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.457 -0.862 19751 8164 1 13 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.550 1.833 19751 8165 1 13 . 1 1 98 98 ALA H H 98 8.731 8.731 8.561 0.170 19751 8166 1 13 . 1 1 99 99 LYS N N 99 121.674 121.674 122.564 -0.890 19751 8167 1 13 . 1 1 99 99 LYS H H 99 8.636 8.636 8.266 0.370 19751 8168 1 13 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.202 0.260 19751 8169 1 13 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.577 -0.089 19751 8170 1 13 . 1 1 100 100 PRO CB C 100 32.186 32.186 31.066 1.120 19751 8171 1 13 . 1 1 101 101 GLY N N 101 110.695 110.695 114.629 -3.934 19751 8172 1 13 . 1 1 101 101 GLY C C 101 174.676 174.676 174.469 0.207 19751 8173 1 13 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.906 0.277 19751 8174 1 13 . 1 1 101 101 GLY H H 101 8.709 8.709 8.759 -0.050 19751 8175 1 13 . 1 1 102 102 THR N N 102 116.771 116.771 118.333 -1.562 19751 8176 1 13 . 1 1 102 102 THR HA H 102 4.134 4.134 4.356 -0.222 19751 8177 1 13 . 1 1 102 102 THR CA C 102 62.998 62.998 62.716 0.282 19751 8178 1 13 . 1 1 102 102 THR CB C 102 69.736 69.736 69.511 0.225 19751 8179 1 13 . 1 1 102 102 THR H H 102 7.652 7.652 7.554 0.098 19751 8180 1 13 . 1 1 103 103 ASP N N 103 125.950 125.950 127.927 -1.977 19751 8181 1 13 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.855 -0.151 19751 8182 1 13 . 1 1 103 103 ASP C C 103 175.907 175.907 177.130 -1.223 19751 8183 1 13 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.861 -1.114 19751 8184 1 13 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.204 0.783 19751 8185 1 13 . 1 1 103 103 ASP H H 103 8.849 8.849 8.683 0.166 19751 8186 1 13 . 1 1 104 104 LEU N N 104 127.195 127.195 119.409 7.786 19751 8187 1 13 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.881 -0.010 19751 8188 1 13 . 1 1 104 104 LEU C C 104 178.528 178.528 177.944 0.584 19751 8189 1 13 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.115 -0.687 19751 8190 1 13 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.368 0.814 19751 8191 1 13 . 1 1 104 104 LEU H H 104 8.464 8.464 7.444 1.020 19751 8192 1 13 . 1 1 105 105 ASN N N 105 116.748 116.748 117.228 -0.480 19751 8193 1 13 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.305 0.032 19751 8194 1 13 . 1 1 105 105 ASN C C 105 177.999 177.999 176.895 1.104 19751 8195 1 13 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.676 -0.134 19751 8196 1 13 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.063 0.162 19751 8197 1 13 . 1 1 105 105 ASN H H 105 8.225 8.225 8.425 -0.200 19751 8198 1 13 . 1 1 106 106 ALA N N 106 123.704 123.704 121.403 2.301 19751 8199 1 13 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.165 -0.079 19751 8200 1 13 . 1 1 106 106 ALA C C 106 181.021 181.021 179.096 1.925 19751 8201 1 13 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.148 0.736 19751 8202 1 13 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.558 -0.575 19751 8203 1 13 . 1 1 106 106 ALA H H 106 7.810 7.810 7.450 0.360 19751 8204 1 13 . 1 1 107 107 ILE N N 107 118.676 118.676 119.491 -0.815 19751 8205 1 13 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.499 0.155 19751 8206 1 13 . 1 1 107 107 ILE C C 107 177.324 177.324 178.256 -0.932 19751 8207 1 13 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.898 -1.063 19751 8208 1 13 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.464 0.143 19751 8209 1 13 . 1 1 107 107 ILE H H 107 7.582 7.582 7.396 0.186 19751 8210 1 13 . 1 1 108 108 ALA N N 108 122.550 122.550 121.896 0.654 19751 8211 1 13 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.924 -0.123 19751 8212 1 13 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.438 0.640 19751 8213 1 13 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.931 0.006 19751 8214 1 13 . 1 1 108 108 ALA H H 108 8.551 8.551 7.785 0.766 19751 8215 1 13 . 1 1 109 109 THR N N 109 113.975 113.975 112.987 0.988 19751 8216 1 13 . 1 1 109 109 THR HA H 109 3.806 3.806 3.996 -0.190 19751 8217 1 13 . 1 1 109 109 THR C C 109 176.632 176.632 176.616 0.016 19751 8218 1 13 . 1 1 109 109 THR CA C 109 67.362 67.362 66.740 0.622 19751 8219 1 13 . 1 1 109 109 THR CB C 109 68.554 68.554 68.472 0.082 19751 8220 1 13 . 1 1 109 109 THR H H 109 8.197 8.197 7.681 0.516 19751 8221 1 13 . 1 1 110 110 LYS N N 110 123.603 123.603 120.323 3.280 19751 8222 1 13 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.226 -0.149 19751 8223 1 13 . 1 1 110 110 LYS C C 110 179.640 179.640 177.427 2.213 19751 8224 1 13 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.999 1.366 19751 8225 1 13 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.334 -0.263 19751 8226 1 13 . 1 1 110 110 LYS H H 110 7.656 7.656 8.024 -0.368 19751 8227 1 13 . 1 1 111 111 LEU N N 111 120.492 120.492 118.796 1.696 19751 8228 1 13 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.246 -0.389 19751 8229 1 13 . 1 1 111 111 LEU C C 111 179.289 179.289 178.887 0.402 19751 8230 1 13 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.686 0.429 19751 8231 1 13 . 1 1 111 111 LEU CB C 111 41.115 41.115 42.003 -0.888 19751 8232 1 13 . 1 1 111 111 LEU H H 111 8.441 8.441 7.232 1.209 19751 8233 1 13 . 1 1 112 112 LYS N N 112 120.305 120.305 118.301 2.004 19751 8234 1 13 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.217 0.224 19751 8235 1 13 . 1 1 112 112 LYS C C 112 181.574 181.574 178.709 2.865 19751 8236 1 13 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.878 0.733 19751 8237 1 13 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.943 0.350 19751 8238 1 13 . 1 1 112 112 LYS H H 112 8.452 8.452 8.246 0.206 19751 8239 1 13 . 1 1 113 113 SER N N 113 116.992 116.992 114.187 2.805 19751 8240 1 13 . 1 1 113 113 SER HA H 113 4.389 4.389 4.256 0.133 19751 8241 1 13 . 1 1 113 113 SER C C 113 175.200 175.200 175.941 -0.741 19751 8242 1 13 . 1 1 113 113 SER CA C 113 61.260 61.260 60.541 0.719 19751 8243 1 13 . 1 1 113 113 SER CB C 113 62.863 62.863 63.057 -0.194 19751 8244 1 13 . 1 1 113 113 SER H H 113 7.995 7.995 7.807 0.188 19751 8245 1 13 . 1 1 114 114 GLU N N 114 120.677 120.677 118.858 1.819 19751 8246 1 13 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.392 0.039 19751 8247 1 13 . 1 1 114 114 GLU C C 114 176.506 176.506 176.917 -0.411 19751 8248 1 13 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.487 -0.175 19751 8249 1 13 . 1 1 114 114 GLU CB C 114 29.397 29.397 31.003 -1.606 19751 8250 1 13 . 1 1 114 114 GLU H H 114 7.577 7.577 7.942 -0.365 19751 8251 1 13 . 1 1 115 115 GLY N N 115 107.383 107.383 107.990 -0.607 19751 8252 1 13 . 1 1 115 115 GLY C C 115 174.019 174.019 173.503 0.516 19751 8253 1 13 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.762 0.736 19751 8254 1 13 . 1 1 115 115 GLY H H 115 7.947 7.947 7.686 0.261 19751 8255 1 13 . 1 1 116 116 VAL N N 116 121.389 121.389 120.460 0.929 19751 8256 1 13 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.076 0.056 19751 8257 1 13 . 1 1 116 116 VAL C C 116 175.092 175.092 174.761 0.331 19751 8258 1 13 . 1 1 116 116 VAL CA C 116 61.077 61.077 61.525 -0.448 19751 8259 1 13 . 1 1 116 116 VAL CB C 116 33.043 33.043 33.181 -0.139 19751 8260 1 13 . 1 1 116 116 VAL H H 116 7.704 7.704 7.379 0.325 19751 8261 1 13 . 1 1 117 117 ASN N N 117 125.670 125.670 127.001 -1.331 19751 8262 1 13 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.830 -0.036 19751 8263 1 13 . 1 1 117 117 ASN C C 117 173.847 173.847 173.981 -0.134 19751 8264 1 13 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.616 -0.412 19751 8265 1 13 . 1 1 117 117 ASN CB C 117 38.001 38.001 39.016 -1.015 19751 8266 1 13 . 1 1 117 117 ASN H H 117 9.161 9.161 8.443 0.718 19751 8267 1 13 . 1 1 118 118 VAL N N 118 121.648 121.648 118.748 2.900 19751 8268 1 13 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.066 0.207 19751 8269 1 13 . 1 1 118 118 VAL C C 118 173.553 173.553 174.016 -0.463 19751 8270 1 13 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.115 -0.610 19751 8271 1 13 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.542 -0.453 19751 8272 1 13 . 1 1 118 118 VAL H H 118 7.811 7.811 7.763 0.048 19751 8273 1 13 . 1 1 119 119 GLN N N 119 124.298 124.298 120.424 3.874 19751 8274 1 13 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.631 0.022 19751 8275 1 13 . 1 1 119 119 GLN C C 119 174.263 174.263 174.186 0.077 19751 8276 1 13 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.405 -0.162 19751 8277 1 13 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.787 -0.261 19751 8278 1 13 . 1 1 119 119 GLN H H 119 8.746 8.746 8.194 0.552 19751 8279 1 13 . 1 1 120 120 ILE N N 120 122.997 122.997 126.292 -3.295 19751 8280 1 13 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.256 0.192 19751 8281 1 13 . 1 1 120 120 ILE C C 120 175.616 175.616 175.995 -0.379 19751 8282 1 13 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.854 1.103 19751 8283 1 13 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.124 3.806 19751 8284 1 13 . 1 1 120 120 ILE H H 120 8.670 8.670 8.686 -0.016 19751 8285 1 13 . 1 1 121 121 GLU N N 121 128.460 128.460 128.223 0.237 19751 8286 1 13 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.568 -0.073 19751 8287 1 13 . 1 1 121 121 GLU C C 121 175.490 175.490 174.313 1.177 19751 8288 1 13 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.943 0.706 19751 8289 1 13 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.987 -1.797 19751 8290 1 13 . 1 1 121 121 GLU H H 121 8.641 8.641 8.122 0.519 19751 8291 1 13 . 1 1 122 122 LEU N N 122 126.756 126.756 119.589 7.167 19751 8292 1 13 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.720 -0.141 19751 8293 1 13 . 1 1 122 122 LEU C C 122 177.291 177.291 176.386 0.905 19751 8294 1 13 . 1 1 122 122 LEU CA C 122 54.512 54.512 54.034 0.478 19751 8295 1 13 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.757 -2.335 19751 8296 1 13 . 1 1 122 122 LEU H H 122 8.642 8.642 8.501 0.141 19751 8297 1 13 . 1 1 123 123 SER N N 123 117.273 117.273 115.195 2.078 19751 8298 1 13 . 1 1 123 123 SER HA H 123 4.430 4.430 4.582 -0.152 19751 8299 1 13 . 1 1 123 123 SER C C 123 175.066 175.066 174.783 0.283 19751 8300 1 13 . 1 1 123 123 SER CA C 123 58.499 58.499 58.074 0.425 19751 8301 1 13 . 1 1 123 123 SER CB C 123 63.946 63.946 62.891 1.055 19751 8302 1 13 . 1 1 123 123 SER H H 123 8.496 8.496 8.894 -0.398 19751 8303 1 13 . 1 1 124 124 GLY N N 124 111.280 111.280 108.506 2.774 19751 8304 1 13 . 1 1 124 124 GLY C C 124 174.099 174.099 174.126 -0.027 19751 8305 1 13 . 1 1 124 124 GLY CA C 124 45.379 45.379 45.142 0.237 19751 8306 1 13 . 1 1 124 124 GLY H H 124 8.566 8.566 8.161 0.405 19751 8307 1 13 . 1 1 125 125 ALA N N 125 123.586 123.586 121.729 1.857 19751 8308 1 13 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.799 -0.492 19751 8309 1 13 . 1 1 125 125 ALA C C 125 177.915 177.915 178.249 -0.334 19751 8310 1 13 . 1 1 125 125 ALA CA C 125 52.617 52.617 53.007 -0.390 19751 8311 1 13 . 1 1 125 125 ALA CB C 125 19.308 19.308 19.810 -0.502 19751 8312 1 13 . 1 1 125 125 ALA H H 125 8.158 8.158 8.267 -0.109 19751 8313 1 13 . 1 1 126 126 GLU N N 126 120.076 120.076 119.265 0.811 19751 8314 1 13 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.458 -0.107 19751 8315 1 13 . 1 1 126 126 GLU C C 126 176.544 176.544 176.030 0.514 19751 8316 1 13 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.488 1.395 19751 8317 1 13 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.594 0.016 19751 8318 1 13 . 1 1 126 126 GLU H H 126 8.524 8.524 8.199 0.325 19751 8319 1 13 . 1 1 127 127 GLN N N 127 121.453 121.453 119.456 1.997 19751 8320 1 13 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.535 -0.228 19751 8321 1 13 . 1 1 127 127 GLN C C 127 175.691 175.691 175.240 0.451 19751 8322 1 13 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.185 0.395 19751 8323 1 13 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.768 -0.065 19751 8324 1 13 . 1 1 127 127 GLN H H 127 8.356 8.356 7.996 0.360 19751 8325 1 13 . 1 1 128 128 GLN N N 128 122.570 122.570 119.981 2.589 19751 8326 1 13 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.724 -0.139 19751 8327 1 13 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.493 0.251 19751 8328 1 13 . 1 1 128 128 GLN CB C 128 28.864 28.864 30.233 -1.369 19751 8329 1 13 . 1 1 128 128 GLN H H 128 8.348 8.348 8.563 -0.215 19751 8330 1 13 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.616 -0.215 19751 8331 1 13 . 1 1 129 129 PRO C C 129 175.988 175.988 177.175 -1.187 19751 8332 1 13 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.445 1.004 19751 8333 1 13 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.396 -0.439 19751 8334 1 14 . 1 1 2 2 GLU N N 2 122.196 122.196 121.918 0.278 19751 8335 1 14 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.743 -0.508 19751 8336 1 14 . 1 1 2 2 GLU C C 2 175.712 175.712 174.866 0.846 19751 8337 1 14 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.778 -0.146 19751 8338 1 14 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.684 -0.713 19751 8339 1 14 . 1 1 2 2 GLU H H 2 8.617 8.617 9.025 -0.408 19751 8340 1 14 . 1 1 3 3 SER N N 3 116.623 116.623 117.772 -1.149 19751 8341 1 14 . 1 1 3 3 SER HA H 3 4.597 4.597 4.987 -0.390 19751 8342 1 14 . 1 1 3 3 SER C C 3 174.294 174.294 173.556 0.738 19751 8343 1 14 . 1 1 3 3 SER CA C 3 58.386 58.386 57.626 0.760 19751 8344 1 14 . 1 1 3 3 SER CB C 3 64.039 64.039 64.095 -0.056 19751 8345 1 14 . 1 1 3 3 SER H H 3 8.305 8.305 8.436 -0.131 19751 8346 1 14 . 1 1 4 4 VAL N N 4 121.759 121.759 118.383 3.376 19751 8347 1 14 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.818 -0.509 19751 8348 1 14 . 1 1 4 4 VAL C C 4 176.177 176.177 174.261 1.916 19751 8349 1 14 . 1 1 4 4 VAL CA C 4 61.709 61.709 61.190 0.519 19751 8350 1 14 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.934 -0.579 19751 8351 1 14 . 1 1 4 4 VAL H H 4 8.303 8.303 8.805 -0.502 19751 8352 1 14 . 1 1 5 5 THR N N 5 118.335 118.335 114.110 4.225 19751 8353 1 14 . 1 1 5 5 THR HA H 5 4.592 4.592 4.642 -0.050 19751 8354 1 14 . 1 1 5 5 THR C C 5 173.579 173.579 173.452 0.127 19751 8355 1 14 . 1 1 5 5 THR CA C 5 62.022 62.022 61.340 0.682 19751 8356 1 14 . 1 1 5 5 THR CB C 5 70.047 70.047 70.454 -0.407 19751 8357 1 14 . 1 1 5 5 THR H H 5 8.319 8.319 8.056 0.263 19751 8358 1 14 . 1 1 6 6 MET N N 6 123.858 123.858 121.201 2.657 19751 8359 1 14 . 1 1 6 6 MET CA C 6 57.260 57.260 55.223 2.037 19751 8360 1 14 . 1 1 6 6 MET CB C 6 33.780 33.780 34.321 -0.541 19751 8361 1 14 . 1 1 6 6 MET H H 6 8.035 8.035 8.396 -0.361 19751 8362 1 14 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.860 -0.363 19751 8363 1 14 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.261 0.889 19751 8364 1 14 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.328 -1.064 19751 8365 1 14 . 1 1 8 8 GLY N N 8 114.130 114.130 108.219 5.911 19751 8366 1 14 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.685 0.928 19751 8367 1 14 . 1 1 8 8 GLY H H 8 8.386 8.386 8.133 0.253 19751 8368 1 14 . 1 1 9 9 LYS N N 9 120.803 120.803 121.275 -0.472 19751 8369 1 14 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.598 -0.254 19751 8370 1 14 . 1 1 9 9 LYS H H 9 8.021 8.021 8.385 -0.364 19751 8371 1 14 . 1 1 10 10 GLN N N 10 120.522 120.522 119.886 0.636 19751 8372 1 14 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.477 -0.010 19751 8373 1 14 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.069 0.212 19751 8374 1 14 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.904 -0.493 19751 8375 1 14 . 1 1 10 10 GLN H H 10 8.246 8.246 8.288 -0.042 19751 8376 1 14 . 1 1 11 11 TYR N N 11 121.213 121.213 120.899 0.314 19751 8377 1 14 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.874 -0.575 19751 8378 1 14 . 1 1 11 11 TYR CA C 11 56.949 56.949 56.862 0.087 19751 8379 1 14 . 1 1 11 11 TYR CB C 11 43.274 43.274 40.066 3.208 19751 8380 1 14 . 1 1 11 11 TYR H H 11 8.873 8.873 8.361 0.512 19751 8381 1 14 . 1 1 12 12 SER N N 12 117.406 117.406 117.907 -0.501 19751 8382 1 14 . 1 1 12 12 SER HA H 12 4.715 4.715 4.735 -0.020 19751 8383 1 14 . 1 1 12 12 SER CA C 12 57.374 57.374 58.165 -0.791 19751 8384 1 14 . 1 1 12 12 SER CB C 12 63.946 63.946 63.832 0.114 19751 8385 1 14 . 1 1 12 12 SER H H 12 9.047 9.047 8.536 0.511 19751 8386 1 14 . 1 1 13 13 THR N N 13 112.091 112.091 117.624 -5.533 19751 8387 1 14 . 1 1 13 13 THR HA H 13 4.929 4.929 4.653 0.276 19751 8388 1 14 . 1 1 13 13 THR CA C 13 60.716 60.716 61.416 -0.700 19751 8389 1 14 . 1 1 13 13 THR CB C 13 71.808 71.808 70.501 1.307 19751 8390 1 14 . 1 1 13 13 THR H H 13 8.235 8.235 8.185 0.050 19751 8391 1 14 . 1 1 14 14 ILE N N 14 120.891 120.891 120.051 0.840 19751 8392 1 14 . 1 1 14 14 ILE H H 14 9.108 9.108 8.197 0.911 19751 8393 1 14 . 1 1 15 15 GLU N N 15 127.598 127.598 124.828 2.770 19751 8394 1 14 . 1 1 15 15 GLU H H 15 8.300 8.300 8.331 -0.031 19751 8395 1 14 . 1 1 16 16 VAL N N 16 126.224 126.224 121.150 5.074 19751 8396 1 14 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.171 0.113 19751 8397 1 14 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.761 0.074 19751 8398 1 14 . 1 1 16 16 VAL CB C 16 34.896 34.896 33.052 1.844 19751 8399 1 14 . 1 1 16 16 VAL H H 16 9.320 9.320 8.471 0.849 19751 8400 1 14 . 1 1 17 17 ASN N N 17 123.394 123.394 126.355 -2.961 19751 8401 1 14 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.422 0.742 19751 8402 1 14 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.627 -0.078 19751 8403 1 14 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.984 -0.770 19751 8404 1 14 . 1 1 17 17 ASN H H 17 9.310 9.310 9.304 0.006 19751 8405 1 14 . 1 1 18 18 GLY H H 18 9.024 9.024 8.245 0.779 19751 8406 1 14 . 1 1 19 19 GLN N N 19 119.994 119.994 119.804 0.190 19751 8407 1 14 . 1 1 19 19 GLN H H 19 7.990 7.990 7.768 0.222 19751 8408 1 14 . 1 1 20 20 THR N N 20 117.472 117.472 122.095 -4.623 19751 8409 1 14 . 1 1 20 20 THR HA H 20 4.384 4.384 4.062 0.322 19751 8410 1 14 . 1 1 20 20 THR CA C 20 63.334 63.334 63.891 -0.557 19751 8411 1 14 . 1 1 20 20 THR CB C 20 69.401 69.401 69.146 0.255 19751 8412 1 14 . 1 1 20 20 THR H H 20 8.401 8.401 8.455 -0.054 19751 8413 1 14 . 1 1 21 21 TYR N N 21 126.847 126.847 125.942 0.905 19751 8414 1 14 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.643 -0.481 19751 8415 1 14 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.806 -0.319 19751 8416 1 14 . 1 1 21 21 TYR CB C 21 43.330 43.330 40.158 3.172 19751 8417 1 14 . 1 1 21 21 TYR H H 21 9.367 9.367 8.334 1.033 19751 8418 1 14 . 1 1 22 22 LEU N N 22 118.537 118.537 123.143 -4.606 19751 8419 1 14 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.680 -0.488 19751 8420 1 14 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.285 2.637 19751 8421 1 14 . 1 1 22 22 LEU CB C 22 43.212 43.212 44.140 -0.928 19751 8422 1 14 . 1 1 22 22 LEU H H 22 9.060 9.060 8.547 0.513 19751 8423 1 14 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.621 -0.230 19751 8424 1 14 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.512 0.822 19751 8425 1 14 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.843 -0.703 19751 8426 1 14 . 1 1 25 25 ASP N N 25 121.554 121.554 120.754 0.800 19751 8427 1 14 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.853 -0.261 19751 8428 1 14 . 1 1 25 25 ASP CA C 25 54.308 54.308 54.093 0.215 19751 8429 1 14 . 1 1 25 25 ASP CB C 25 41.087 41.087 42.460 -1.373 19751 8430 1 14 . 1 1 25 25 ASP H H 25 8.324 8.324 8.601 -0.277 19751 8431 1 14 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.896 -0.157 19751 8432 1 14 . 1 1 26 26 ASN CA C 26 52.656 52.656 52.693 -0.037 19751 8433 1 14 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.577 -0.445 19751 8434 1 14 . 1 1 27 27 GLY N N 27 109.206 109.206 109.001 0.205 19751 8435 1 14 . 1 1 27 27 GLY CA C 27 45.414 45.414 45.012 0.402 19751 8436 1 14 . 1 1 27 27 GLY H H 27 8.494 8.494 8.391 0.103 19751 8437 1 14 . 1 1 28 28 SER N N 28 116.238 116.238 115.863 0.375 19751 8438 1 14 . 1 1 28 28 SER HA H 28 4.384 4.384 4.673 -0.289 19751 8439 1 14 . 1 1 28 28 SER CA C 28 60.226 60.226 58.129 2.097 19751 8440 1 14 . 1 1 28 28 SER CB C 28 63.818 63.818 64.264 -0.446 19751 8441 1 14 . 1 1 28 28 SER H H 28 8.372 8.372 8.228 0.144 19751 8442 1 14 . 1 1 29 29 LYS N N 29 121.905 121.905 124.723 -2.818 19751 8443 1 14 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.658 -0.327 19751 8444 1 14 . 1 1 29 29 LYS CA C 29 56.353 56.353 55.894 0.459 19751 8445 1 14 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.804 -0.457 19751 8446 1 14 . 1 1 29 29 LYS H H 29 8.027 8.027 8.467 -0.440 19751 8447 1 14 . 1 1 30 30 LYS N N 30 122.663 122.663 124.161 -1.498 19751 8448 1 14 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.522 -0.228 19751 8449 1 14 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.726 0.488 19751 8450 1 14 . 1 1 30 30 LYS CB C 30 33.171 33.171 34.376 -1.205 19751 8451 1 14 . 1 1 30 30 LYS H H 30 8.223 8.223 8.505 -0.282 19751 8452 1 14 . 1 1 31 31 ARG N N 31 123.469 123.469 122.837 0.632 19751 8453 1 14 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.781 -0.426 19751 8454 1 14 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.801 0.494 19751 8455 1 14 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.829 0.025 19751 8456 1 14 . 1 1 31 31 ARG H H 31 8.404 8.404 8.581 -0.177 19751 8457 1 14 . 1 1 32 32 VAL N N 32 122.456 122.456 119.890 2.566 19751 8458 1 14 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.409 -0.166 19751 8459 1 14 . 1 1 32 32 VAL CA C 32 62.316 62.316 62.250 0.066 19751 8460 1 14 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.337 -0.474 19751 8461 1 14 . 1 1 32 32 VAL H H 32 8.214 8.214 8.340 -0.126 19751 8462 1 14 . 1 1 33 33 ALA N N 33 127.685 127.685 130.146 -2.461 19751 8463 1 14 . 1 1 33 33 ALA HA H 33 4.302 4.302 5.081 -0.779 19751 8464 1 14 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.524 1.093 19751 8465 1 14 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.695 -1.387 19751 8466 1 14 . 1 1 33 33 ALA H H 33 8.374 8.374 8.693 -0.319 19751 8467 1 14 . 1 1 34 34 ARG N N 34 119.922 119.922 122.902 -2.980 19751 8468 1 14 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.831 -0.508 19751 8469 1 14 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.784 1.036 19751 8470 1 14 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.674 -1.514 19751 8471 1 14 . 1 1 34 34 ARG H H 34 8.652 8.652 8.812 -0.160 19751 8472 1 14 . 1 1 35 35 SER N N 35 116.881 116.881 120.543 -3.662 19751 8473 1 14 . 1 1 35 35 SER HA H 35 4.543 4.543 4.598 -0.055 19751 8474 1 14 . 1 1 35 35 SER CA C 35 58.440 58.440 58.222 0.218 19751 8475 1 14 . 1 1 35 35 SER CB C 35 64.094 64.094 64.212 -0.118 19751 8476 1 14 . 1 1 35 35 SER H H 35 8.359 8.359 8.661 -0.302 19751 8477 1 14 . 1 1 36 36 LEU N N 36 124.595 124.595 124.731 -0.136 19751 8478 1 14 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.726 -0.353 19751 8479 1 14 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.348 0.246 19751 8480 1 14 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.431 -1.153 19751 8481 1 14 . 1 1 36 36 LEU H H 36 8.546 8.546 8.286 0.260 19751 8482 1 14 . 1 1 37 37 ASP N N 37 119.422 119.422 121.819 -2.397 19751 8483 1 14 . 1 1 37 37 ASP HA H 37 4.592 4.592 4.711 -0.119 19751 8484 1 14 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.681 0.627 19751 8485 1 14 . 1 1 37 37 ASP CB C 37 41.182 41.182 41.820 -0.638 19751 8486 1 14 . 1 1 37 37 ASP H H 37 8.186 8.186 8.477 -0.291 19751 8487 1 14 . 1 1 38 38 SER N N 38 116.413 116.413 118.203 -1.790 19751 8488 1 14 . 1 1 38 38 SER HA H 38 4.450 4.450 4.649 -0.199 19751 8489 1 14 . 1 1 38 38 SER CA C 38 58.499 58.499 58.451 0.048 19751 8490 1 14 . 1 1 38 38 SER CB C 38 63.818 63.818 63.717 0.101 19751 8491 1 14 . 1 1 38 38 SER H H 38 8.177 8.177 8.566 -0.389 19751 8492 1 14 . 1 1 39 39 LYS N N 39 123.095 123.095 122.769 0.326 19751 8493 1 14 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.558 -0.221 19751 8494 1 14 . 1 1 39 39 LYS CA C 39 56.679 56.679 56.122 0.557 19751 8495 1 14 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.633 -1.401 19751 8496 1 14 . 1 1 39 39 LYS H H 39 8.379 8.379 8.367 0.012 19751 8497 1 14 . 1 1 40 40 VAL N N 40 122.475 122.475 121.878 0.597 19751 8498 1 14 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.354 0.034 19751 8499 1 14 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.403 -1.242 19751 8500 1 14 . 1 1 40 40 VAL CB C 40 32.615 32.615 33.016 -0.401 19751 8501 1 14 . 1 1 40 40 VAL H H 40 8.069 8.069 8.872 -0.803 19751 8502 1 14 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.698 -0.277 19751 8503 1 14 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.227 -0.469 19751 8504 1 14 . 1 1 41 41 PRO CB C 41 32.307 32.307 32.891 -0.584 19751 8505 1 14 . 1 1 42 42 GLN N N 42 121.230 121.230 118.710 2.520 19751 8506 1 14 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.426 -0.147 19751 8507 1 14 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.532 0.496 19751 8508 1 14 . 1 1 42 42 GLN CB C 42 29.719 29.719 29.740 -0.021 19751 8509 1 14 . 1 1 42 42 GLN H H 42 8.482 8.482 8.285 0.197 19751 8510 1 14 . 1 1 43 43 GLN N N 43 121.831 121.831 124.491 -2.660 19751 8511 1 14 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.763 -0.374 19751 8512 1 14 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.677 -0.753 19751 8513 1 14 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.095 -0.566 19751 8514 1 14 . 1 1 43 43 GLN H H 43 8.506 8.506 8.696 -0.190 19751 8515 1 14 . 1 1 44 44 THR N N 44 116.251 116.251 118.786 -2.535 19751 8516 1 14 . 1 1 44 44 THR HA H 44 4.302 4.302 4.714 -0.412 19751 8517 1 14 . 1 1 44 44 THR CA C 44 61.922 61.922 61.990 -0.068 19751 8518 1 14 . 1 1 44 44 THR CB C 44 69.811 69.811 69.445 0.366 19751 8519 1 14 . 1 1 44 44 THR H H 44 8.231 8.231 8.306 -0.075 19751 8520 1 14 . 1 1 45 45 LEU N N 45 125.046 125.046 121.836 3.210 19751 8521 1 14 . 1 1 45 45 LEU HA H 45 4.498 4.498 5.286 -0.788 19751 8522 1 14 . 1 1 45 45 LEU CA C 45 55.107 55.107 53.622 1.485 19751 8523 1 14 . 1 1 45 45 LEU CB C 45 42.812 42.812 44.813 -2.002 19751 8524 1 14 . 1 1 45 45 LEU H H 45 8.257 8.257 8.712 -0.455 19751 8525 1 14 . 1 1 46 46 ARG N N 46 120.522 120.522 120.693 -0.171 19751 8526 1 14 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.172 -0.939 19751 8527 1 14 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.453 1.011 19751 8528 1 14 . 1 1 46 46 ARG CB C 46 29.971 29.971 31.853 -1.882 19751 8529 1 14 . 1 1 46 46 ARG H H 46 8.007 8.007 9.180 -1.173 19751 8530 1 14 . 1 1 47 47 ARG N N 47 121.010 121.010 120.856 0.154 19751 8531 1 14 . 1 1 47 47 ARG H H 47 8.324 8.324 9.460 -1.136 19751 8532 1 14 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.959 0.381 19751 8533 1 14 . 1 1 49 49 ASP N N 49 120.513 120.513 123.637 -3.124 19751 8534 1 14 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.768 -0.149 19751 8535 1 14 . 1 1 49 49 ASP CA C 49 54.330 54.330 54.337 -0.007 19751 8536 1 14 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.479 -1.316 19751 8537 1 14 . 1 1 49 49 ASP H H 49 8.225 8.225 8.298 -0.073 19751 8538 1 14 . 1 1 50 50 VAL N N 50 119.718 119.718 122.721 -3.003 19751 8539 1 14 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.586 -0.514 19751 8540 1 14 . 1 1 50 50 VAL CA C 50 62.402 62.402 62.056 0.346 19751 8541 1 14 . 1 1 50 50 VAL CB C 50 32.794 32.794 32.646 0.148 19751 8542 1 14 . 1 1 50 50 VAL H H 50 8.024 8.024 8.207 -0.183 19751 8543 1 14 . 1 1 51 51 LEU N N 51 125.249 125.249 124.655 0.594 19751 8544 1 14 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.849 -0.503 19751 8545 1 14 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.468 0.902 19751 8546 1 14 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.596 -1.216 19751 8547 1 14 . 1 1 51 51 LEU H H 51 8.305 8.305 8.276 0.029 19751 8548 1 14 . 1 1 52 52 MET HA H 52 4.458 4.458 4.857 -0.399 19751 8549 1 14 . 1 1 52 52 MET CA C 52 55.417 55.417 55.579 -0.162 19751 8550 1 14 . 1 1 52 52 MET CB C 52 32.264 32.264 34.686 -2.422 19751 8551 1 14 . 1 1 53 53 GLN N N 53 121.447 121.447 123.073 -1.626 19751 8552 1 14 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.029 -0.722 19751 8553 1 14 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.709 0.505 19751 8554 1 14 . 1 1 53 53 GLN CB C 53 29.697 29.697 31.897 -2.200 19751 8555 1 14 . 1 1 53 53 GLN H H 53 8.373 8.373 9.171 -0.798 19751 8556 1 14 . 1 1 54 54 GLY N N 54 110.484 110.484 109.170 1.314 19751 8557 1 14 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.040 0.210 19751 8558 1 14 . 1 1 54 54 GLY H H 54 8.456 8.456 8.886 -0.430 19751 8559 1 14 . 1 1 55 55 ALA N N 55 123.673 123.673 123.655 0.018 19751 8560 1 14 . 1 1 55 55 ALA HA H 55 4.307 4.307 5.492 -1.185 19751 8561 1 14 . 1 1 55 55 ALA C C 55 177.397 177.397 177.187 0.210 19751 8562 1 14 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.319 0.298 19751 8563 1 14 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.679 -1.371 19751 8564 1 14 . 1 1 55 55 ALA H H 55 8.113 8.113 10.584 -2.471 19751 8565 1 14 . 1 1 56 56 ALA N N 56 123.295 123.295 124.356 -1.061 19751 8566 1 14 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.160 -0.857 19751 8567 1 14 . 1 1 56 56 ALA C C 56 177.446 177.446 176.320 1.126 19751 8568 1 14 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.285 0.148 19751 8569 1 14 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.551 -1.243 19751 8570 1 14 . 1 1 56 56 ALA H H 56 8.297 8.297 9.011 -0.714 19751 8571 1 14 . 1 1 57 57 SER N N 57 116.534 116.534 117.024 -0.490 19751 8572 1 14 . 1 1 57 57 SER HA H 57 4.737 4.737 4.676 0.061 19751 8573 1 14 . 1 1 57 57 SER CA C 57 56.332 56.332 57.545 -1.213 19751 8574 1 14 . 1 1 57 57 SER CB C 57 63.567 63.567 63.212 0.355 19751 8575 1 14 . 1 1 57 57 SER H H 57 8.258 8.258 8.837 -0.579 19751 8576 1 14 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.747 -0.345 19751 8577 1 14 . 1 1 58 58 PRO C C 58 176.874 176.874 175.565 1.309 19751 8578 1 14 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.127 0.230 19751 8579 1 14 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.522 -0.487 19751 8580 1 14 . 1 1 59 59 GLU N N 59 120.545 120.545 117.911 2.634 19751 8581 1 14 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.757 -0.521 19751 8582 1 14 . 1 1 59 59 GLU C C 59 176.383 176.383 174.450 1.933 19751 8583 1 14 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.744 0.831 19751 8584 1 14 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.271 -1.168 19751 8585 1 14 . 1 1 59 59 GLU H H 59 8.556 8.556 8.689 -0.133 19751 8586 1 14 . 1 1 60 60 LEU N N 60 122.946 122.946 121.746 1.200 19751 8587 1 14 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.717 -0.273 19751 8588 1 14 . 1 1 60 60 LEU C C 60 177.201 177.201 174.771 2.430 19751 8589 1 14 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.644 0.476 19751 8590 1 14 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.098 -0.810 19751 8591 1 14 . 1 1 60 60 LEU H H 60 8.205 8.205 8.370 -0.165 19751 8592 1 14 . 1 1 61 61 THR N N 61 115.168 115.168 118.591 -3.423 19751 8593 1 14 . 1 1 61 61 THR HA H 61 4.380 4.380 4.740 -0.360 19751 8594 1 14 . 1 1 61 61 THR C C 61 174.201 174.201 172.846 1.355 19751 8595 1 14 . 1 1 61 61 THR CA C 61 61.792 61.792 62.169 -0.376 19751 8596 1 14 . 1 1 61 61 THR CB C 61 69.770 69.770 70.371 -0.601 19751 8597 1 14 . 1 1 61 61 THR H H 61 8.149 8.149 8.368 -0.219 19751 8598 1 14 . 1 1 62 62 VAL N N 62 121.650 121.650 125.090 -3.440 19751 8599 1 14 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.333 -0.014 19751 8600 1 14 . 1 1 62 62 VAL C C 62 175.921 175.921 173.267 2.654 19751 8601 1 14 . 1 1 62 62 VAL CA C 62 61.709 61.709 61.821 -0.112 19751 8602 1 14 . 1 1 62 62 VAL CB C 62 33.355 33.355 33.705 -0.350 19751 8603 1 14 . 1 1 62 62 VAL H H 62 8.091 8.091 8.071 0.020 19751 8604 1 14 . 1 1 63 63 SER N N 63 120.076 120.076 119.832 0.244 19751 8605 1 14 . 1 1 63 63 SER HA H 63 4.542 4.542 4.738 -0.196 19751 8606 1 14 . 1 1 63 63 SER C C 63 174.254 174.254 172.958 1.296 19751 8607 1 14 . 1 1 63 63 SER CA C 63 58.375 58.375 57.680 0.695 19751 8608 1 14 . 1 1 63 63 SER CB C 63 64.196 64.196 64.911 -0.715 19751 8609 1 14 . 1 1 63 63 SER H H 63 8.524 8.524 8.200 0.324 19751 8610 1 14 . 1 1 64 64 GLY N N 64 109.912 109.912 111.560 -1.648 19751 8611 1 14 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.719 -0.335 19751 8612 1 14 . 1 1 64 64 GLY H H 64 8.255 8.255 8.637 -0.382 19751 8613 1 14 . 1 1 65 65 THR N N 65 114.200 114.200 115.868 -1.668 19751 8614 1 14 . 1 1 65 65 THR HA H 65 4.929 4.929 5.109 -0.180 19751 8615 1 14 . 1 1 65 65 THR CA C 65 60.826 60.826 61.635 -0.809 19751 8616 1 14 . 1 1 65 65 THR CB C 65 71.805 71.805 72.611 -0.806 19751 8617 1 14 . 1 1 65 65 THR H H 65 8.468 8.468 8.148 0.320 19751 8618 1 14 . 1 1 66 66 LEU N N 66 122.673 122.673 123.681 -1.008 19751 8619 1 14 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.923 -0.002 19751 8620 1 14 . 1 1 66 66 LEU C C 66 174.364 174.364 174.392 -0.028 19751 8621 1 14 . 1 1 66 66 LEU CA C 66 53.410 53.410 53.965 -0.555 19751 8622 1 14 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.101 -1.651 19751 8623 1 14 . 1 1 66 66 LEU H H 66 9.054 9.054 9.017 0.037 19751 8624 1 14 . 1 1 67 67 LEU N N 67 124.219 124.219 126.743 -2.524 19751 8625 1 14 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.940 0.268 19751 8626 1 14 . 1 1 67 67 LEU C C 67 177.107 177.107 175.539 1.568 19751 8627 1 14 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.007 -0.234 19751 8628 1 14 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.637 0.569 19751 8629 1 14 . 1 1 67 67 LEU H H 67 8.927 8.927 9.182 -0.255 19751 8630 1 14 . 1 1 68 68 VAL N N 68 121.113 121.113 125.404 -4.291 19751 8631 1 14 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.411 0.445 19751 8632 1 14 . 1 1 68 68 VAL C C 68 174.079 174.079 173.930 0.149 19751 8633 1 14 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.381 0.477 19751 8634 1 14 . 1 1 68 68 VAL CB C 68 35.015 35.015 35.391 -0.376 19751 8635 1 14 . 1 1 68 68 VAL H H 68 9.345 9.345 8.999 0.346 19751 8636 1 14 . 1 1 69 69 GLU N N 69 127.682 127.682 130.889 -3.207 19751 8637 1 14 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.457 0.442 19751 8638 1 14 . 1 1 69 69 GLU C C 69 173.485 173.485 174.991 -1.506 19751 8639 1 14 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.653 -1.306 19751 8640 1 14 . 1 1 69 69 GLU CB C 69 28.971 28.971 29.110 -0.139 19751 8641 1 14 . 1 1 69 69 GLU H H 69 8.110 8.110 8.464 -0.354 19751 8642 1 14 . 1 1 70 70 ALA N N 70 130.042 130.042 127.825 2.217 19751 8643 1 14 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.528 0.036 19751 8644 1 14 . 1 1 70 70 ALA C C 70 174.853 174.853 175.734 -0.881 19751 8645 1 14 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.420 0.284 19751 8646 1 14 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.371 0.060 19751 8647 1 14 . 1 1 70 70 ALA H H 70 7.991 7.991 7.719 0.272 19751 8648 1 14 . 1 1 71 71 ASP N N 71 117.021 117.021 120.570 -3.549 19751 8649 1 14 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.714 -0.134 19751 8650 1 14 . 1 1 71 71 ASP C C 71 175.160 175.160 176.775 -1.615 19751 8651 1 14 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.786 -0.743 19751 8652 1 14 . 1 1 71 71 ASP CB C 71 40.922 40.922 43.038 -2.116 19751 8653 1 14 . 1 1 71 71 ASP H H 71 8.025 8.025 8.538 -0.513 19751 8654 1 14 . 1 1 72 72 ASP N N 72 119.867 119.867 121.710 -1.843 19751 8655 1 14 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.817 0.306 19751 8656 1 14 . 1 1 72 72 ASP C C 72 177.598 177.598 177.196 0.402 19751 8657 1 14 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.645 0.812 19751 8658 1 14 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.597 -0.608 19751 8659 1 14 . 1 1 72 72 ASP H H 72 8.644 8.644 8.680 -0.036 19751 8660 1 14 . 1 1 73 73 ALA N N 73 120.735 120.735 120.288 0.447 19751 8661 1 14 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.091 -0.139 19751 8662 1 14 . 1 1 73 73 ALA C C 73 181.711 181.711 179.730 1.981 19751 8663 1 14 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.628 0.729 19751 8664 1 14 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.395 -0.574 19751 8665 1 14 . 1 1 73 73 ALA H H 73 8.212 8.212 8.401 -0.189 19751 8666 1 14 . 1 1 74 74 SER N N 74 116.971 116.971 114.715 2.256 19751 8667 1 14 . 1 1 74 74 SER HA H 74 4.207 4.207 4.186 0.021 19751 8668 1 14 . 1 1 74 74 SER C C 74 176.918 176.918 176.134 0.784 19751 8669 1 14 . 1 1 74 74 SER CA C 74 61.632 61.632 60.886 0.746 19751 8670 1 14 . 1 1 74 74 SER CB C 74 62.233 62.233 63.187 -0.954 19751 8671 1 14 . 1 1 74 74 SER H H 74 8.376 8.376 7.584 0.792 19751 8672 1 14 . 1 1 75 75 ALA N N 75 124.844 124.844 125.409 -0.565 19751 8673 1 14 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.741 0.081 19751 8674 1 14 . 1 1 75 75 ALA C C 75 179.160 179.160 179.026 0.134 19751 8675 1 14 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.101 0.200 19751 8676 1 14 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.646 0.866 19751 8677 1 14 . 1 1 75 75 ALA H H 75 9.121 9.121 7.637 1.484 19751 8678 1 14 . 1 1 76 76 LYS N N 76 117.821 117.821 118.029 -0.208 19751 8679 1 14 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.989 -0.184 19751 8680 1 14 . 1 1 76 76 LYS C C 76 179.175 179.175 178.597 0.578 19751 8681 1 14 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.322 0.816 19751 8682 1 14 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.779 0.583 19751 8683 1 14 . 1 1 76 76 LYS H H 76 8.306 8.306 7.720 0.586 19751 8684 1 14 . 1 1 77 77 ALA N N 77 122.703 122.703 121.155 1.548 19751 8685 1 14 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.125 0.064 19751 8686 1 14 . 1 1 77 77 ALA C C 77 180.868 180.868 179.704 1.164 19751 8687 1 14 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.655 0.497 19751 8688 1 14 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.247 -0.415 19751 8689 1 14 . 1 1 77 77 ALA H H 77 7.584 7.584 7.571 0.013 19751 8690 1 14 . 1 1 78 78 LEU N N 78 120.574 120.574 118.552 2.022 19751 8691 1 14 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.039 -0.003 19751 8692 1 14 . 1 1 78 78 LEU C C 78 178.870 178.870 179.053 -0.183 19751 8693 1 14 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.855 1.034 19751 8694 1 14 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.951 0.528 19751 8695 1 14 . 1 1 78 78 LEU H H 78 8.338 8.338 7.818 0.520 19751 8696 1 14 . 1 1 79 79 ALA N N 79 121.156 121.156 121.622 -0.466 19751 8697 1 14 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.098 -0.203 19751 8698 1 14 . 1 1 79 79 ALA C C 79 179.393 179.393 179.053 0.340 19751 8699 1 14 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.370 0.390 19751 8700 1 14 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.423 -1.167 19751 8701 1 14 . 1 1 79 79 ALA H H 79 8.491 8.491 8.443 0.048 19751 8702 1 14 . 1 1 80 80 THR N N 80 114.097 114.097 111.733 2.364 19751 8703 1 14 . 1 1 80 80 THR HA H 80 4.048 4.048 4.259 -0.211 19751 8704 1 14 . 1 1 80 80 THR C C 80 177.034 177.034 176.364 0.670 19751 8705 1 14 . 1 1 80 80 THR CA C 80 66.139 66.139 65.378 0.761 19751 8706 1 14 . 1 1 80 80 THR CB C 80 69.243 69.243 69.099 0.144 19751 8707 1 14 . 1 1 80 80 THR H H 80 8.111 8.111 7.835 0.276 19751 8708 1 14 . 1 1 81 81 ARG N N 81 121.321 121.321 120.292 1.029 19751 8709 1 14 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.145 -0.202 19751 8710 1 14 . 1 1 81 81 ARG C C 81 177.546 177.546 178.130 -0.584 19751 8711 1 14 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.331 0.709 19751 8712 1 14 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.304 0.419 19751 8713 1 14 . 1 1 81 81 ARG H H 81 7.893 7.893 7.534 0.359 19751 8714 1 14 . 1 1 82 82 HIS N N 82 113.320 113.320 114.402 -1.082 19751 8715 1 14 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.563 0.146 19751 8716 1 14 . 1 1 82 82 HIS C C 82 174.918 174.918 176.344 -1.426 19751 8717 1 14 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.043 -0.881 19751 8718 1 14 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.384 1.124 19751 8719 1 14 . 1 1 82 82 HIS H H 82 7.684 7.684 7.897 -0.213 19751 8720 1 14 . 1 1 83 83 GLY N N 83 109.763 109.763 106.845 2.918 19751 8721 1 14 . 1 1 83 83 GLY C C 83 174.866 174.866 174.043 0.823 19751 8722 1 14 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.965 2.312 19751 8723 1 14 . 1 1 83 83 GLY H H 83 7.707 7.707 7.745 -0.038 19751 8724 1 14 . 1 1 84 84 LEU N N 84 119.225 119.225 119.392 -0.167 19751 8725 1 14 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.645 0.189 19751 8726 1 14 . 1 1 84 84 LEU C C 84 174.880 174.880 176.396 -1.516 19751 8727 1 14 . 1 1 84 84 LEU CA C 84 52.869 52.869 53.940 -1.071 19751 8728 1 14 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.866 2.217 19751 8729 1 14 . 1 1 84 84 LEU H H 84 8.672 8.672 7.317 1.355 19751 8730 1 14 . 1 1 85 85 ASN N N 85 117.042 117.042 117.273 -0.231 19751 8731 1 14 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.895 0.273 19751 8732 1 14 . 1 1 85 85 ASN C C 85 175.212 175.212 174.101 1.111 19751 8733 1 14 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.236 -0.378 19751 8734 1 14 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.722 0.160 19751 8735 1 14 . 1 1 85 85 ASN H H 85 8.955 8.955 8.399 0.556 19751 8736 1 14 . 1 1 86 86 PHE N N 86 126.957 126.957 126.967 -0.010 19751 8737 1 14 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.503 -0.062 19751 8738 1 14 . 1 1 86 86 PHE C C 86 173.744 173.744 174.982 -1.238 19751 8739 1 14 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.798 0.808 19751 8740 1 14 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.012 0.052 19751 8741 1 14 . 1 1 86 86 PHE H H 86 9.221 9.221 8.910 0.311 19751 8742 1 14 . 1 1 87 87 LYS N N 87 129.305 129.305 128.539 0.766 19751 8743 1 14 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.136 0.215 19751 8744 1 14 . 1 1 87 87 LYS C C 87 175.203 175.203 176.033 -0.830 19751 8745 1 14 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.385 0.312 19751 8746 1 14 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.053 0.521 19751 8747 1 14 . 1 1 87 87 LYS H H 87 8.397 8.397 8.606 -0.209 19751 8748 1 14 . 1 1 88 88 GLN N N 88 110.785 110.785 117.306 -6.521 19751 8749 1 14 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.507 -0.116 19751 8750 1 14 . 1 1 88 88 GLN C C 88 185.308 185.308 173.809 11.499 19751 8751 1 14 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.349 0.404 19751 8752 1 14 . 1 1 88 88 GLN H H 88 6.855 6.855 7.719 -0.864 19751 8753 1 14 . 1 1 89 89 SER N N 89 113.927 113.927 113.933 -0.006 19751 8754 1 14 . 1 1 89 89 SER HA H 89 5.298 5.298 5.118 0.180 19751 8755 1 14 . 1 1 89 89 SER C C 89 173.757 173.757 174.248 -0.491 19751 8756 1 14 . 1 1 89 89 SER CA C 89 56.776 56.776 56.514 0.262 19751 8757 1 14 . 1 1 89 89 SER CB C 89 67.417 67.417 66.487 0.930 19751 8758 1 14 . 1 1 89 89 SER H H 89 8.718 8.718 8.481 0.237 19751 8759 1 14 . 1 1 90 90 SER N N 90 114.246 114.246 117.867 -3.621 19751 8760 1 14 . 1 1 90 90 SER HA H 90 4.597 4.597 4.645 -0.048 19751 8761 1 14 . 1 1 90 90 SER CA C 90 58.356 58.356 58.725 -0.369 19751 8762 1 14 . 1 1 90 90 SER CB C 90 63.952 63.952 63.162 0.790 19751 8763 1 14 . 1 1 90 90 SER H H 90 8.479 8.479 8.537 -0.058 19751 8764 1 14 . 1 1 91 91 GLY N N 91 116.101 116.101 109.415 6.686 19751 8765 1 14 . 1 1 91 91 GLY C C 91 174.853 174.853 175.012 -0.159 19751 8766 1 14 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.129 2.026 19751 8767 1 14 . 1 1 91 91 GLY H H 91 8.490 8.490 7.797 0.693 19751 8768 1 14 . 1 1 92 92 GLY N N 92 107.199 107.199 107.688 -0.489 19751 8769 1 14 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.014 -0.348 19751 8770 1 14 . 1 1 92 92 GLY H H 92 8.914 8.914 8.217 0.697 19751 8771 1 14 . 1 1 93 93 ILE N N 93 118.958 118.958 115.409 3.549 19751 8772 1 14 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.671 0.067 19751 8773 1 14 . 1 1 93 93 ILE C C 93 175.050 175.050 173.830 1.220 19751 8774 1 14 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.961 -1.426 19751 8775 1 14 . 1 1 93 93 ILE CB C 93 38.109 38.109 40.188 -2.079 19751 8776 1 14 . 1 1 93 93 ILE H H 93 7.540 7.540 7.565 -0.025 19751 8777 1 14 . 1 1 94 94 ALA N N 94 131.032 131.032 129.655 1.377 19751 8778 1 14 . 1 1 94 94 ALA HA H 94 4.728 4.728 4.768 -0.040 19751 8779 1 14 . 1 1 94 94 ALA C C 94 174.512 174.512 177.230 -2.718 19751 8780 1 14 . 1 1 94 94 ALA CA C 94 50.438 50.438 51.426 -0.988 19751 8781 1 14 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.055 2.756 19751 8782 1 14 . 1 1 94 94 ALA H H 94 9.561 9.561 9.015 0.546 19751 8783 1 14 . 1 1 95 95 LEU N N 95 123.066 123.066 124.720 -1.654 19751 8784 1 14 . 1 1 95 95 LEU HA H 95 4.963 4.963 5.138 -0.175 19751 8785 1 14 . 1 1 95 95 LEU C C 95 174.922 174.922 176.081 -1.159 19751 8786 1 14 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.065 0.450 19751 8787 1 14 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.853 2.352 19751 8788 1 14 . 1 1 95 95 LEU H H 95 8.641 8.641 8.513 0.128 19751 8789 1 14 . 1 1 96 96 LEU N N 96 124.843 124.843 123.938 0.905 19751 8790 1 14 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.037 0.134 19751 8791 1 14 . 1 1 96 96 LEU C C 96 175.059 175.059 177.051 -1.992 19751 8792 1 14 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.237 -0.598 19751 8793 1 14 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.269 1.000 19751 8794 1 14 . 1 1 96 96 LEU H H 96 9.235 9.235 9.004 0.231 19751 8795 1 14 . 1 1 97 97 GLU N N 97 121.306 121.306 120.243 1.063 19751 8796 1 14 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.652 0.207 19751 8797 1 14 . 1 1 97 97 GLU C C 97 175.343 175.343 175.465 -0.122 19751 8798 1 14 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.982 0.109 19751 8799 1 14 . 1 1 97 97 GLU CB C 97 33.415 33.415 31.104 2.311 19751 8800 1 14 . 1 1 97 97 GLU H H 97 9.113 9.113 8.581 0.532 19751 8801 1 14 . 1 1 98 98 ALA N N 98 126.658 126.658 127.875 -1.217 19751 8802 1 14 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.353 0.421 19751 8803 1 14 . 1 1 98 98 ALA C C 98 176.880 176.880 177.162 -0.282 19751 8804 1 14 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.523 -0.928 19751 8805 1 14 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.552 1.831 19751 8806 1 14 . 1 1 98 98 ALA H H 98 8.731 8.731 8.543 0.188 19751 8807 1 14 . 1 1 99 99 LYS N N 99 121.674 121.674 123.066 -1.392 19751 8808 1 14 . 1 1 99 99 LYS H H 99 8.636 8.636 8.118 0.518 19751 8809 1 14 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.279 0.183 19751 8810 1 14 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.586 -0.098 19751 8811 1 14 . 1 1 100 100 PRO CB C 100 32.186 32.186 31.189 0.997 19751 8812 1 14 . 1 1 101 101 GLY N N 101 110.695 110.695 114.849 -4.154 19751 8813 1 14 . 1 1 101 101 GLY C C 101 174.676 174.676 174.474 0.202 19751 8814 1 14 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.902 0.281 19751 8815 1 14 . 1 1 101 101 GLY H H 101 8.709 8.709 8.386 0.323 19751 8816 1 14 . 1 1 102 102 THR N N 102 116.771 116.771 119.117 -2.346 19751 8817 1 14 . 1 1 102 102 THR HA H 102 4.134 4.134 4.295 -0.161 19751 8818 1 14 . 1 1 102 102 THR CA C 102 62.998 62.998 63.354 -0.356 19751 8819 1 14 . 1 1 102 102 THR CB C 102 69.736 69.736 69.342 0.394 19751 8820 1 14 . 1 1 102 102 THR H H 102 7.652 7.652 7.559 0.093 19751 8821 1 14 . 1 1 103 103 ASP N N 103 125.950 125.950 128.938 -2.988 19751 8822 1 14 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.778 -0.074 19751 8823 1 14 . 1 1 103 103 ASP C C 103 175.907 175.907 177.317 -1.410 19751 8824 1 14 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.712 -0.965 19751 8825 1 14 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.040 0.947 19751 8826 1 14 . 1 1 103 103 ASP H H 103 8.849 8.849 8.733 0.116 19751 8827 1 14 . 1 1 104 104 LEU N N 104 127.195 127.195 119.957 7.238 19751 8828 1 14 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.846 0.025 19751 8829 1 14 . 1 1 104 104 LEU C C 104 178.528 178.528 178.024 0.504 19751 8830 1 14 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.318 -0.889 19751 8831 1 14 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.331 0.851 19751 8832 1 14 . 1 1 104 104 LEU H H 104 8.464 8.464 7.703 0.761 19751 8833 1 14 . 1 1 105 105 ASN N N 105 116.748 116.748 117.036 -0.288 19751 8834 1 14 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.318 0.019 19751 8835 1 14 . 1 1 105 105 ASN C C 105 177.999 177.999 176.934 1.065 19751 8836 1 14 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.492 0.050 19751 8837 1 14 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.005 0.220 19751 8838 1 14 . 1 1 105 105 ASN H H 105 8.225 8.225 8.424 -0.199 19751 8839 1 14 . 1 1 106 106 ALA N N 106 123.704 123.704 121.602 2.102 19751 8840 1 14 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.151 -0.065 19751 8841 1 14 . 1 1 106 106 ALA C C 106 181.021 181.021 179.120 1.901 19751 8842 1 14 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.183 0.701 19751 8843 1 14 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.539 -0.556 19751 8844 1 14 . 1 1 106 106 ALA H H 106 7.810 7.810 7.524 0.286 19751 8845 1 14 . 1 1 107 107 ILE N N 107 118.676 118.676 119.110 -0.434 19751 8846 1 14 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.419 0.235 19751 8847 1 14 . 1 1 107 107 ILE C C 107 177.324 177.324 178.279 -0.955 19751 8848 1 14 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.809 -0.974 19751 8849 1 14 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.379 0.228 19751 8850 1 14 . 1 1 107 107 ILE H H 107 7.582 7.582 7.607 -0.025 19751 8851 1 14 . 1 1 108 108 ALA N N 108 122.550 122.550 121.980 0.570 19751 8852 1 14 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.896 -0.095 19751 8853 1 14 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.529 0.549 19751 8854 1 14 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.802 0.135 19751 8855 1 14 . 1 1 108 108 ALA H H 108 8.551 8.551 7.752 0.799 19751 8856 1 14 . 1 1 109 109 THR N N 109 113.975 113.975 112.805 1.170 19751 8857 1 14 . 1 1 109 109 THR HA H 109 3.806 3.806 4.027 -0.221 19751 8858 1 14 . 1 1 109 109 THR C C 109 176.632 176.632 176.530 0.102 19751 8859 1 14 . 1 1 109 109 THR CA C 109 67.362 67.362 66.627 0.735 19751 8860 1 14 . 1 1 109 109 THR CB C 109 68.554 68.554 68.323 0.231 19751 8861 1 14 . 1 1 109 109 THR H H 109 8.197 8.197 7.449 0.748 19751 8862 1 14 . 1 1 110 110 LYS N N 110 123.603 123.603 120.649 2.954 19751 8863 1 14 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.235 -0.158 19751 8864 1 14 . 1 1 110 110 LYS C C 110 179.640 179.640 177.415 2.225 19751 8865 1 14 . 1 1 110 110 LYS CA C 110 59.365 59.365 58.236 1.129 19751 8866 1 14 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.429 -0.358 19751 8867 1 14 . 1 1 110 110 LYS H H 110 7.656 7.656 7.986 -0.330 19751 8868 1 14 . 1 1 111 111 LEU N N 111 120.492 120.492 118.056 2.436 19751 8869 1 14 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.320 -0.463 19751 8870 1 14 . 1 1 111 111 LEU C C 111 179.289 179.289 178.900 0.389 19751 8871 1 14 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.340 0.776 19751 8872 1 14 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.807 -0.692 19751 8873 1 14 . 1 1 111 111 LEU H H 111 8.441 8.441 7.188 1.253 19751 8874 1 14 . 1 1 112 112 LYS N N 112 120.305 120.305 118.904 1.401 19751 8875 1 14 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.256 0.185 19751 8876 1 14 . 1 1 112 112 LYS C C 112 181.574 181.574 178.767 2.807 19751 8877 1 14 . 1 1 112 112 LYS CA C 112 59.611 59.611 59.048 0.563 19751 8878 1 14 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.968 0.325 19751 8879 1 14 . 1 1 112 112 LYS H H 112 8.452 8.452 8.413 0.039 19751 8880 1 14 . 1 1 113 113 SER N N 113 116.992 116.992 113.651 3.341 19751 8881 1 14 . 1 1 113 113 SER HA H 113 4.389 4.389 4.271 0.118 19751 8882 1 14 . 1 1 113 113 SER C C 113 175.200 175.200 175.923 -0.723 19751 8883 1 14 . 1 1 113 113 SER CA C 113 61.260 61.260 60.691 0.569 19751 8884 1 14 . 1 1 113 113 SER CB C 113 62.863 62.863 62.986 -0.123 19751 8885 1 14 . 1 1 113 113 SER H H 113 7.995 7.995 7.772 0.223 19751 8886 1 14 . 1 1 114 114 GLU N N 114 120.677 120.677 118.315 2.362 19751 8887 1 14 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.374 0.057 19751 8888 1 14 . 1 1 114 114 GLU C C 114 176.506 176.506 176.784 -0.278 19751 8889 1 14 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.563 -0.251 19751 8890 1 14 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.553 -1.156 19751 8891 1 14 . 1 1 114 114 GLU H H 114 7.577 7.577 8.158 -0.581 19751 8892 1 14 . 1 1 115 115 GLY N N 115 107.383 107.383 107.686 -0.303 19751 8893 1 14 . 1 1 115 115 GLY C C 115 174.019 174.019 173.680 0.339 19751 8894 1 14 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.603 0.895 19751 8895 1 14 . 1 1 115 115 GLY H H 115 7.947 7.947 7.772 0.175 19751 8896 1 14 . 1 1 116 116 VAL N N 116 121.389 121.389 119.831 1.558 19751 8897 1 14 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.282 -0.150 19751 8898 1 14 . 1 1 116 116 VAL C C 116 175.092 175.092 174.157 0.935 19751 8899 1 14 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.386 0.691 19751 8900 1 14 . 1 1 116 116 VAL CB C 116 33.043 33.043 34.620 -1.577 19751 8901 1 14 . 1 1 116 116 VAL H H 116 7.704 7.704 7.323 0.381 19751 8902 1 14 . 1 1 117 117 ASN N N 117 125.670 125.670 126.330 -0.660 19751 8903 1 14 . 1 1 117 117 ASN HA H 117 4.794 4.794 5.053 -0.259 19751 8904 1 14 . 1 1 117 117 ASN C C 117 173.847 173.847 173.870 -0.023 19751 8905 1 14 . 1 1 117 117 ASN CA C 117 53.204 53.204 52.888 0.316 19751 8906 1 14 . 1 1 117 117 ASN CB C 117 38.001 38.001 39.072 -1.071 19751 8907 1 14 . 1 1 117 117 ASN H H 117 9.161 9.161 8.768 0.393 19751 8908 1 14 . 1 1 118 118 VAL N N 118 121.648 121.648 118.751 2.897 19751 8909 1 14 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.109 0.164 19751 8910 1 14 . 1 1 118 118 VAL C C 118 173.553 173.553 174.340 -0.787 19751 8911 1 14 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.543 -1.038 19751 8912 1 14 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.909 -0.820 19751 8913 1 14 . 1 1 118 118 VAL H H 118 7.811 7.811 8.108 -0.297 19751 8914 1 14 . 1 1 119 119 GLN N N 119 124.298 124.298 120.541 3.757 19751 8915 1 14 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.726 -0.073 19751 8916 1 14 . 1 1 119 119 GLN C C 119 174.263 174.263 173.918 0.345 19751 8917 1 14 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.022 0.221 19751 8918 1 14 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.710 -0.184 19751 8919 1 14 . 1 1 119 119 GLN H H 119 8.746 8.746 8.365 0.381 19751 8920 1 14 . 1 1 120 120 ILE N N 120 122.997 122.997 126.267 -3.270 19751 8921 1 14 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.325 0.123 19751 8922 1 14 . 1 1 120 120 ILE C C 120 175.616 175.616 175.832 -0.216 19751 8923 1 14 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.710 1.247 19751 8924 1 14 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.336 3.594 19751 8925 1 14 . 1 1 120 120 ILE H H 120 8.670 8.670 8.639 0.031 19751 8926 1 14 . 1 1 121 121 GLU N N 121 128.460 128.460 128.532 -0.072 19751 8927 1 14 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.559 -0.064 19751 8928 1 14 . 1 1 121 121 GLU C C 121 175.490 175.490 174.248 1.242 19751 8929 1 14 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.354 1.295 19751 8930 1 14 . 1 1 121 121 GLU CB C 121 31.190 31.190 33.376 -2.186 19751 8931 1 14 . 1 1 121 121 GLU H H 121 8.641 8.641 8.316 0.325 19751 8932 1 14 . 1 1 122 122 LEU N N 122 126.756 126.756 120.765 5.991 19751 8933 1 14 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.624 -0.045 19751 8934 1 14 . 1 1 122 122 LEU C C 122 177.291 177.291 175.934 1.357 19751 8935 1 14 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.827 0.685 19751 8936 1 14 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.655 -2.233 19751 8937 1 14 . 1 1 122 122 LEU H H 122 8.642 8.642 8.448 0.194 19751 8938 1 14 . 1 1 123 123 SER N N 123 117.273 117.273 117.106 0.167 19751 8939 1 14 . 1 1 123 123 SER HA H 123 4.430 4.430 4.684 -0.254 19751 8940 1 14 . 1 1 123 123 SER C C 123 175.066 175.066 174.441 0.625 19751 8941 1 14 . 1 1 123 123 SER CA C 123 58.499 58.499 57.778 0.721 19751 8942 1 14 . 1 1 123 123 SER CB C 123 63.946 63.946 63.619 0.327 19751 8943 1 14 . 1 1 123 123 SER H H 123 8.496 8.496 8.794 -0.298 19751 8944 1 14 . 1 1 124 124 GLY N N 124 111.280 111.280 109.092 2.188 19751 8945 1 14 . 1 1 124 124 GLY C C 124 174.099 174.099 173.835 0.264 19751 8946 1 14 . 1 1 124 124 GLY CA C 124 45.379 45.379 45.543 -0.164 19751 8947 1 14 . 1 1 124 124 GLY H H 124 8.566 8.566 7.980 0.586 19751 8948 1 14 . 1 1 125 125 ALA N N 125 123.586 123.586 125.807 -2.221 19751 8949 1 14 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.622 -0.315 19751 8950 1 14 . 1 1 125 125 ALA C C 125 177.915 177.915 176.329 1.586 19751 8951 1 14 . 1 1 125 125 ALA CA C 125 52.617 52.617 52.065 0.552 19751 8952 1 14 . 1 1 125 125 ALA CB C 125 19.308 19.308 17.278 2.030 19751 8953 1 14 . 1 1 125 125 ALA H H 125 8.158 8.158 8.102 0.056 19751 8954 1 14 . 1 1 126 126 GLU N N 126 120.076 120.076 119.307 0.769 19751 8955 1 14 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.529 -0.178 19751 8956 1 14 . 1 1 126 126 GLU C C 126 176.544 176.544 175.001 1.543 19751 8957 1 14 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.617 1.266 19751 8958 1 14 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.493 0.117 19751 8959 1 14 . 1 1 126 126 GLU H H 126 8.524 8.524 7.865 0.659 19751 8960 1 14 . 1 1 127 127 GLN N N 127 121.453 121.453 119.390 2.063 19751 8961 1 14 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.682 -0.375 19751 8962 1 14 . 1 1 127 127 GLN C C 127 175.691 175.691 174.972 0.719 19751 8963 1 14 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.915 -0.335 19751 8964 1 14 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.573 0.130 19751 8965 1 14 . 1 1 127 127 GLN H H 127 8.356 8.356 8.447 -0.091 19751 8966 1 14 . 1 1 128 128 GLN N N 128 122.570 122.570 124.461 -1.891 19751 8967 1 14 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.717 -0.132 19751 8968 1 14 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.612 0.132 19751 8969 1 14 . 1 1 128 128 GLN CB C 128 28.864 28.864 28.811 0.054 19751 8970 1 14 . 1 1 128 128 GLN H H 128 8.348 8.348 8.479 -0.131 19751 8971 1 14 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.507 -0.106 19751 8972 1 14 . 1 1 129 129 PRO C C 129 175.988 175.988 177.410 -1.422 19751 8973 1 14 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.532 0.917 19751 8974 1 14 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.430 -0.473 19751 8975 1 15 . 1 1 2 2 GLU N N 2 122.196 122.196 123.580 -1.384 19751 8976 1 15 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.996 -0.761 19751 8977 1 15 . 1 1 2 2 GLU C C 2 175.712 175.712 174.811 0.901 19751 8978 1 15 . 1 1 2 2 GLU CA C 2 56.632 56.632 55.457 1.175 19751 8979 1 15 . 1 1 2 2 GLU CB C 2 29.971 29.971 32.235 -2.264 19751 8980 1 15 . 1 1 2 2 GLU H H 2 8.617 8.617 8.783 -0.166 19751 8981 1 15 . 1 1 3 3 SER N N 3 116.623 116.623 117.941 -1.318 19751 8982 1 15 . 1 1 3 3 SER HA H 3 4.597 4.597 4.771 -0.174 19751 8983 1 15 . 1 1 3 3 SER C C 3 174.294 174.294 172.917 1.377 19751 8984 1 15 . 1 1 3 3 SER CA C 3 58.386 58.386 57.822 0.564 19751 8985 1 15 . 1 1 3 3 SER CB C 3 64.039 64.039 64.575 -0.536 19751 8986 1 15 . 1 1 3 3 SER H H 3 8.305 8.305 8.465 -0.160 19751 8987 1 15 . 1 1 4 4 VAL N N 4 121.759 121.759 124.483 -2.724 19751 8988 1 15 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.436 -0.127 19751 8989 1 15 . 1 1 4 4 VAL C C 4 176.177 176.177 174.947 1.230 19751 8990 1 15 . 1 1 4 4 VAL CA C 4 61.709 61.709 62.261 -0.552 19751 8991 1 15 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.299 0.056 19751 8992 1 15 . 1 1 4 4 VAL H H 4 8.303 8.303 8.428 -0.125 19751 8993 1 15 . 1 1 5 5 THR N N 5 118.335 118.335 118.906 -0.571 19751 8994 1 15 . 1 1 5 5 THR HA H 5 4.592 4.592 4.643 -0.051 19751 8995 1 15 . 1 1 5 5 THR C C 5 173.579 173.579 173.780 -0.201 19751 8996 1 15 . 1 1 5 5 THR CA C 5 62.022 62.022 61.619 0.403 19751 8997 1 15 . 1 1 5 5 THR CB C 5 70.047 70.047 70.496 -0.449 19751 8998 1 15 . 1 1 5 5 THR H H 5 8.319 8.319 8.151 0.168 19751 8999 1 15 . 1 1 6 6 MET N N 6 123.858 123.858 121.798 2.060 19751 9000 1 15 . 1 1 6 6 MET CA C 6 57.260 57.260 54.699 2.561 19751 9001 1 15 . 1 1 6 6 MET CB C 6 33.780 33.780 34.360 -0.580 19751 9002 1 15 . 1 1 6 6 MET H H 6 8.035 8.035 8.380 -0.345 19751 9003 1 15 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.781 -0.284 19751 9004 1 15 . 1 1 7 7 ASP CA C 7 55.150 55.150 53.828 1.322 19751 9005 1 15 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.331 -1.067 19751 9006 1 15 . 1 1 8 8 GLY N N 8 114.130 114.130 107.110 7.020 19751 9007 1 15 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.385 1.228 19751 9008 1 15 . 1 1 8 8 GLY H H 8 8.386 8.386 8.181 0.205 19751 9009 1 15 . 1 1 9 9 LYS N N 9 120.803 120.803 121.880 -1.077 19751 9010 1 15 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.598 -0.254 19751 9011 1 15 . 1 1 9 9 LYS H H 9 8.021 8.021 8.331 -0.310 19751 9012 1 15 . 1 1 10 10 GLN N N 10 120.522 120.522 121.093 -0.571 19751 9013 1 15 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.721 -0.254 19751 9014 1 15 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.278 0.003 19751 9015 1 15 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.944 -0.534 19751 9016 1 15 . 1 1 10 10 GLN H H 10 8.246 8.246 8.217 0.029 19751 9017 1 15 . 1 1 11 11 TYR N N 11 121.213 121.213 120.801 0.412 19751 9018 1 15 . 1 1 11 11 TYR HA H 11 4.299 4.299 5.259 -0.960 19751 9019 1 15 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.523 -0.574 19751 9020 1 15 . 1 1 11 11 TYR CB C 11 43.274 43.274 41.292 1.982 19751 9021 1 15 . 1 1 11 11 TYR H H 11 8.873 8.873 8.880 -0.007 19751 9022 1 15 . 1 1 12 12 SER N N 12 117.406 117.406 116.499 0.907 19751 9023 1 15 . 1 1 12 12 SER HA H 12 4.715 4.715 4.719 -0.004 19751 9024 1 15 . 1 1 12 12 SER CA C 12 57.374 57.374 58.352 -0.978 19751 9025 1 15 . 1 1 12 12 SER CB C 12 63.946 63.946 64.162 -0.216 19751 9026 1 15 . 1 1 12 12 SER H H 12 9.047 9.047 8.553 0.494 19751 9027 1 15 . 1 1 13 13 THR N N 13 112.091 112.091 118.146 -6.055 19751 9028 1 15 . 1 1 13 13 THR HA H 13 4.929 4.929 4.861 0.068 19751 9029 1 15 . 1 1 13 13 THR CA C 13 60.716 60.716 62.079 -1.363 19751 9030 1 15 . 1 1 13 13 THR CB C 13 71.808 71.808 69.189 2.619 19751 9031 1 15 . 1 1 13 13 THR H H 13 8.235 8.235 8.275 -0.040 19751 9032 1 15 . 1 1 14 14 ILE N N 14 120.891 120.891 122.034 -1.143 19751 9033 1 15 . 1 1 14 14 ILE H H 14 9.108 9.108 7.946 1.162 19751 9034 1 15 . 1 1 15 15 GLU N N 15 127.598 127.598 124.301 3.297 19751 9035 1 15 . 1 1 15 15 GLU H H 15 8.300 8.300 8.566 -0.266 19751 9036 1 15 . 1 1 16 16 VAL N N 16 126.224 126.224 119.627 6.597 19751 9037 1 15 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.390 -0.106 19751 9038 1 15 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.280 0.555 19751 9039 1 15 . 1 1 16 16 VAL CB C 16 34.896 34.896 34.767 0.129 19751 9040 1 15 . 1 1 16 16 VAL H H 16 9.320 9.320 7.977 1.343 19751 9041 1 15 . 1 1 17 17 ASN N N 17 123.394 123.394 121.616 1.778 19751 9042 1 15 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.499 0.665 19751 9043 1 15 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.643 -0.094 19751 9044 1 15 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.737 -0.522 19751 9045 1 15 . 1 1 17 17 ASN H H 17 9.310 9.310 8.801 0.509 19751 9046 1 15 . 1 1 18 18 GLY H H 18 9.024 9.024 8.476 0.548 19751 9047 1 15 . 1 1 19 19 GLN N N 19 119.994 119.994 118.128 1.866 19751 9048 1 15 . 1 1 19 19 GLN H H 19 7.990 7.990 8.103 -0.113 19751 9049 1 15 . 1 1 20 20 THR N N 20 117.472 117.472 112.445 5.027 19751 9050 1 15 . 1 1 20 20 THR HA H 20 4.384 4.384 4.652 -0.268 19751 9051 1 15 . 1 1 20 20 THR CA C 20 63.334 63.334 60.923 2.411 19751 9052 1 15 . 1 1 20 20 THR CB C 20 69.401 69.401 70.152 -0.751 19751 9053 1 15 . 1 1 20 20 THR H H 20 8.401 8.401 8.247 0.154 19751 9054 1 15 . 1 1 21 21 TYR N N 21 126.847 126.847 119.854 6.993 19751 9055 1 15 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.614 -0.452 19751 9056 1 15 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.871 -0.384 19751 9057 1 15 . 1 1 21 21 TYR CB C 21 43.330 43.330 40.596 2.734 19751 9058 1 15 . 1 1 21 21 TYR H H 21 9.367 9.367 8.382 0.985 19751 9059 1 15 . 1 1 22 22 LEU N N 22 118.537 118.537 126.899 -8.362 19751 9060 1 15 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.940 -0.748 19751 9061 1 15 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.517 2.405 19751 9062 1 15 . 1 1 22 22 LEU CB C 22 43.212 43.212 44.249 -1.037 19751 9063 1 15 . 1 1 22 22 LEU H H 22 9.060 9.060 8.541 0.519 19751 9064 1 15 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.464 -0.073 19751 9065 1 15 . 1 1 24 24 PRO CA C 24 63.334 63.334 63.126 0.208 19751 9066 1 15 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.109 0.031 19751 9067 1 15 . 1 1 25 25 ASP N N 25 121.554 121.554 122.172 -0.618 19751 9068 1 15 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.669 -0.077 19751 9069 1 15 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.860 0.448 19751 9070 1 15 . 1 1 25 25 ASP CB C 25 41.087 41.087 40.864 0.223 19751 9071 1 15 . 1 1 25 25 ASP H H 25 8.324 8.324 8.512 -0.188 19751 9072 1 15 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.665 0.074 19751 9073 1 15 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.861 -1.205 19751 9074 1 15 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.823 -0.691 19751 9075 1 15 . 1 1 27 27 GLY N N 27 109.206 109.206 111.304 -2.098 19751 9076 1 15 . 1 1 27 27 GLY CA C 27 45.414 45.414 45.059 0.355 19751 9077 1 15 . 1 1 27 27 GLY H H 27 8.494 8.494 8.653 -0.159 19751 9078 1 15 . 1 1 28 28 SER N N 28 116.238 116.238 117.042 -0.804 19751 9079 1 15 . 1 1 28 28 SER HA H 28 4.384 4.384 4.420 -0.036 19751 9080 1 15 . 1 1 28 28 SER CA C 28 60.226 60.226 58.196 2.030 19751 9081 1 15 . 1 1 28 28 SER CB C 28 63.818 63.818 64.641 -0.823 19751 9082 1 15 . 1 1 28 28 SER H H 28 8.372 8.372 8.575 -0.203 19751 9083 1 15 . 1 1 29 29 LYS N N 29 121.905 121.905 123.604 -1.699 19751 9084 1 15 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.513 -0.182 19751 9085 1 15 . 1 1 29 29 LYS CA C 29 56.353 56.353 57.281 -0.928 19751 9086 1 15 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.713 -0.366 19751 9087 1 15 . 1 1 29 29 LYS H H 29 8.027 8.027 8.439 -0.412 19751 9088 1 15 . 1 1 30 30 LYS N N 30 122.663 122.663 122.981 -0.318 19751 9089 1 15 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.586 -0.292 19751 9090 1 15 . 1 1 30 30 LYS CA C 30 56.214 56.214 56.405 -0.191 19751 9091 1 15 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.837 -0.666 19751 9092 1 15 . 1 1 30 30 LYS H H 30 8.223 8.223 8.608 -0.385 19751 9093 1 15 . 1 1 31 31 ARG N N 31 123.469 123.469 123.763 -0.294 19751 9094 1 15 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.603 -0.248 19751 9095 1 15 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.817 0.478 19751 9096 1 15 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.685 0.169 19751 9097 1 15 . 1 1 31 31 ARG H H 31 8.404 8.404 8.433 -0.029 19751 9098 1 15 . 1 1 32 32 VAL N N 32 122.456 122.456 122.187 0.269 19751 9099 1 15 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.352 -0.109 19751 9100 1 15 . 1 1 32 32 VAL CA C 32 62.316 62.316 61.934 0.382 19751 9101 1 15 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.612 -0.749 19751 9102 1 15 . 1 1 32 32 VAL H H 32 8.214 8.214 8.160 0.054 19751 9103 1 15 . 1 1 33 33 ALA N N 33 127.685 127.685 130.045 -2.360 19751 9104 1 15 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.686 -0.384 19751 9105 1 15 . 1 1 33 33 ALA CA C 33 52.617 52.617 52.037 0.580 19751 9106 1 15 . 1 1 33 33 ALA CB C 33 19.308 19.308 19.970 -0.662 19751 9107 1 15 . 1 1 33 33 ALA H H 33 8.374 8.374 8.271 0.103 19751 9108 1 15 . 1 1 34 34 ARG N N 34 119.922 119.922 121.904 -1.982 19751 9109 1 15 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.801 -0.478 19751 9110 1 15 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.942 0.878 19751 9111 1 15 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.418 -1.258 19751 9112 1 15 . 1 1 34 34 ARG H H 34 8.652 8.652 8.748 -0.096 19751 9113 1 15 . 1 1 35 35 SER N N 35 116.881 116.881 120.463 -3.582 19751 9114 1 15 . 1 1 35 35 SER HA H 35 4.543 4.543 4.851 -0.308 19751 9115 1 15 . 1 1 35 35 SER CA C 35 58.440 58.440 57.384 1.056 19751 9116 1 15 . 1 1 35 35 SER CB C 35 64.094 64.094 64.749 -0.655 19751 9117 1 15 . 1 1 35 35 SER H H 35 8.359 8.359 8.659 -0.300 19751 9118 1 15 . 1 1 36 36 LEU N N 36 124.595 124.595 121.463 3.132 19751 9119 1 15 . 1 1 36 36 LEU HA H 36 4.373 4.373 5.093 -0.720 19751 9120 1 15 . 1 1 36 36 LEU CA C 36 55.594 55.594 54.234 1.360 19751 9121 1 15 . 1 1 36 36 LEU CB C 36 42.278 42.278 44.412 -2.134 19751 9122 1 15 . 1 1 36 36 LEU H H 36 8.546 8.546 8.715 -0.169 19751 9123 1 15 . 1 1 37 37 ASP N N 37 119.422 119.422 119.803 -0.381 19751 9124 1 15 . 1 1 37 37 ASP HA H 37 4.592 4.592 4.961 -0.369 19751 9125 1 15 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.882 0.426 19751 9126 1 15 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.102 -0.920 19751 9127 1 15 . 1 1 37 37 ASP H H 37 8.186 8.186 9.128 -0.942 19751 9128 1 15 . 1 1 38 38 SER N N 38 116.413 116.413 116.684 -0.271 19751 9129 1 15 . 1 1 38 38 SER HA H 38 4.450 4.450 4.740 -0.290 19751 9130 1 15 . 1 1 38 38 SER CA C 38 58.499 58.499 57.626 0.873 19751 9131 1 15 . 1 1 38 38 SER CB C 38 63.818 63.818 64.938 -1.120 19751 9132 1 15 . 1 1 38 38 SER H H 38 8.177 8.177 8.481 -0.304 19751 9133 1 15 . 1 1 39 39 LYS N N 39 123.095 123.095 124.000 -0.905 19751 9134 1 15 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.623 -0.286 19751 9135 1 15 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.659 1.020 19751 9136 1 15 . 1 1 39 39 LYS CB C 39 32.232 32.232 34.345 -2.113 19751 9137 1 15 . 1 1 39 39 LYS H H 39 8.379 8.379 8.563 -0.184 19751 9138 1 15 . 1 1 40 40 VAL N N 40 122.475 122.475 124.183 -1.708 19751 9139 1 15 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.393 -0.005 19751 9140 1 15 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.398 -1.238 19751 9141 1 15 . 1 1 40 40 VAL CB C 40 32.615 32.615 33.352 -0.737 19751 9142 1 15 . 1 1 40 40 VAL H H 40 8.069 8.069 8.506 -0.437 19751 9143 1 15 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.655 -0.234 19751 9144 1 15 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.097 -0.339 19751 9145 1 15 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.146 2.161 19751 9146 1 15 . 1 1 42 42 GLN N N 42 121.230 121.230 123.156 -1.926 19751 9147 1 15 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.343 -0.064 19751 9148 1 15 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.873 0.155 19751 9149 1 15 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.446 -0.727 19751 9150 1 15 . 1 1 42 42 GLN H H 42 8.482 8.482 8.447 0.035 19751 9151 1 15 . 1 1 43 43 GLN N N 43 121.831 121.831 123.889 -2.058 19751 9152 1 15 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.837 -0.448 19751 9153 1 15 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.486 0.438 19751 9154 1 15 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.991 -1.462 19751 9155 1 15 . 1 1 43 43 GLN H H 43 8.506 8.506 8.713 -0.207 19751 9156 1 15 . 1 1 44 44 THR N N 44 116.251 116.251 117.726 -1.475 19751 9157 1 15 . 1 1 44 44 THR HA H 44 4.302 4.302 4.736 -0.434 19751 9158 1 15 . 1 1 44 44 THR CA C 44 61.922 61.922 61.864 0.058 19751 9159 1 15 . 1 1 44 44 THR CB C 44 69.811 69.811 69.695 0.116 19751 9160 1 15 . 1 1 44 44 THR H H 44 8.231 8.231 8.837 -0.606 19751 9161 1 15 . 1 1 45 45 LEU N N 45 125.046 125.046 128.390 -3.344 19751 9162 1 15 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.509 -0.011 19751 9163 1 15 . 1 1 45 45 LEU CA C 45 55.107 55.107 56.084 -0.977 19751 9164 1 15 . 1 1 45 45 LEU CB C 45 42.812 42.812 42.634 0.178 19751 9165 1 15 . 1 1 45 45 LEU H H 45 8.257 8.257 8.640 -0.383 19751 9166 1 15 . 1 1 46 46 ARG N N 46 120.522 120.522 123.345 -2.823 19751 9167 1 15 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.688 -0.455 19751 9168 1 15 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.087 1.377 19751 9169 1 15 . 1 1 46 46 ARG CB C 46 29.971 29.971 31.666 -1.695 19751 9170 1 15 . 1 1 46 46 ARG H H 46 8.007 8.007 8.460 -0.453 19751 9171 1 15 . 1 1 47 47 ARG N N 47 121.010 121.010 121.281 -0.271 19751 9172 1 15 . 1 1 47 47 ARG H H 47 8.324 8.324 9.465 -1.141 19751 9173 1 15 . 1 1 48 48 GLY CA C 48 45.340 45.340 45.225 0.115 19751 9174 1 15 . 1 1 49 49 ASP N N 49 120.513 120.513 124.495 -3.982 19751 9175 1 15 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.629 -0.010 19751 9176 1 15 . 1 1 49 49 ASP CA C 49 54.330 54.330 54.082 0.248 19751 9177 1 15 . 1 1 49 49 ASP CB C 49 41.163 41.163 41.656 -0.493 19751 9178 1 15 . 1 1 49 49 ASP H H 49 8.225 8.225 8.172 0.053 19751 9179 1 15 . 1 1 50 50 VAL N N 50 119.718 119.718 124.201 -4.483 19751 9180 1 15 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.451 -0.379 19751 9181 1 15 . 1 1 50 50 VAL CA C 50 62.402 62.402 62.416 -0.014 19751 9182 1 15 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.243 -0.449 19751 9183 1 15 . 1 1 50 50 VAL H H 50 8.024 8.024 8.310 -0.286 19751 9184 1 15 . 1 1 51 51 LEU N N 51 125.249 125.249 129.177 -3.928 19751 9185 1 15 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.673 -0.327 19751 9186 1 15 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.739 -0.369 19751 9187 1 15 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.376 -0.997 19751 9188 1 15 . 1 1 51 51 LEU H H 51 8.305 8.305 8.226 0.079 19751 9189 1 15 . 1 1 52 52 MET HA H 52 4.458 4.458 4.747 -0.289 19751 9190 1 15 . 1 1 52 52 MET CA C 52 55.417 55.417 55.572 -0.155 19751 9191 1 15 . 1 1 52 52 MET CB C 52 32.264 32.264 34.087 -1.823 19751 9192 1 15 . 1 1 53 53 GLN N N 53 121.447 121.447 122.279 -0.832 19751 9193 1 15 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.030 -0.723 19751 9194 1 15 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.374 0.840 19751 9195 1 15 . 1 1 53 53 GLN CB C 53 29.697 29.697 32.115 -2.418 19751 9196 1 15 . 1 1 53 53 GLN H H 53 8.373 8.373 9.011 -0.638 19751 9197 1 15 . 1 1 54 54 GLY N N 54 110.484 110.484 109.054 1.430 19751 9198 1 15 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.553 -0.303 19751 9199 1 15 . 1 1 54 54 GLY H H 54 8.456 8.456 8.588 -0.132 19751 9200 1 15 . 1 1 55 55 ALA N N 55 123.673 123.673 122.099 1.574 19751 9201 1 15 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.449 -0.142 19751 9202 1 15 . 1 1 55 55 ALA C C 55 177.397 177.397 175.617 1.780 19751 9203 1 15 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.558 0.059 19751 9204 1 15 . 1 1 55 55 ALA CB C 55 19.308 19.308 19.918 -0.610 19751 9205 1 15 . 1 1 55 55 ALA H H 55 8.113 8.113 8.136 -0.023 19751 9206 1 15 . 1 1 56 56 ALA N N 56 123.295 123.295 125.214 -1.919 19751 9207 1 15 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.084 -0.781 19751 9208 1 15 . 1 1 56 56 ALA C C 56 177.446 177.446 176.620 0.826 19751 9209 1 15 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.526 -0.093 19751 9210 1 15 . 1 1 56 56 ALA CB C 56 19.308 19.308 19.925 -0.617 19751 9211 1 15 . 1 1 56 56 ALA H H 56 8.297 8.297 8.778 -0.481 19751 9212 1 15 . 1 1 57 57 SER N N 57 116.534 116.534 117.772 -1.238 19751 9213 1 15 . 1 1 57 57 SER HA H 57 4.737 4.737 4.620 0.117 19751 9214 1 15 . 1 1 57 57 SER CA C 57 56.332 56.332 57.711 -1.379 19751 9215 1 15 . 1 1 57 57 SER CB C 57 63.567 63.567 63.411 0.156 19751 9216 1 15 . 1 1 57 57 SER H H 57 8.258 8.258 8.743 -0.485 19751 9217 1 15 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.624 -0.222 19751 9218 1 15 . 1 1 58 58 PRO C C 58 176.874 176.874 175.353 1.521 19751 9219 1 15 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.338 0.019 19751 9220 1 15 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.629 -0.594 19751 9221 1 15 . 1 1 59 59 GLU N N 59 120.545 120.545 120.662 -0.117 19751 9222 1 15 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.860 -0.624 19751 9223 1 15 . 1 1 59 59 GLU C C 59 176.383 176.383 174.795 1.588 19751 9224 1 15 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.224 1.351 19751 9225 1 15 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.897 -1.794 19751 9226 1 15 . 1 1 59 59 GLU H H 59 8.556 8.556 8.600 -0.044 19751 9227 1 15 . 1 1 60 60 LEU N N 60 122.946 122.946 120.232 2.714 19751 9228 1 15 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.654 -0.210 19751 9229 1 15 . 1 1 60 60 LEU C C 60 177.201 177.201 174.653 2.548 19751 9230 1 15 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.944 0.176 19751 9231 1 15 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.223 -0.935 19751 9232 1 15 . 1 1 60 60 LEU H H 60 8.205 8.205 8.384 -0.179 19751 9233 1 15 . 1 1 61 61 THR N N 61 115.168 115.168 117.830 -2.662 19751 9234 1 15 . 1 1 61 61 THR HA H 61 4.380 4.380 4.691 -0.311 19751 9235 1 15 . 1 1 61 61 THR C C 61 174.201 174.201 172.498 1.703 19751 9236 1 15 . 1 1 61 61 THR CA C 61 61.792 61.792 62.417 -0.625 19751 9237 1 15 . 1 1 61 61 THR CB C 61 69.770 69.770 70.325 -0.555 19751 9238 1 15 . 1 1 61 61 THR H H 61 8.149 8.149 8.148 0.001 19751 9239 1 15 . 1 1 62 62 VAL N N 62 121.650 121.650 125.547 -3.897 19751 9240 1 15 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.388 -0.069 19751 9241 1 15 . 1 1 62 62 VAL C C 62 175.921 175.921 173.268 2.653 19751 9242 1 15 . 1 1 62 62 VAL CA C 62 61.709 61.709 61.737 -0.028 19751 9243 1 15 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.499 -1.144 19751 9244 1 15 . 1 1 62 62 VAL H H 62 8.091 8.091 8.450 -0.359 19751 9245 1 15 . 1 1 63 63 SER N N 63 120.076 120.076 120.204 -0.128 19751 9246 1 15 . 1 1 63 63 SER HA H 63 4.542 4.542 4.701 -0.159 19751 9247 1 15 . 1 1 63 63 SER C C 63 174.254 174.254 173.024 1.230 19751 9248 1 15 . 1 1 63 63 SER CA C 63 58.375 58.375 57.701 0.674 19751 9249 1 15 . 1 1 63 63 SER CB C 63 64.196 64.196 65.220 -1.024 19751 9250 1 15 . 1 1 63 63 SER H H 63 8.524 8.524 8.212 0.312 19751 9251 1 15 . 1 1 64 64 GLY N N 64 109.912 109.912 110.568 -0.656 19751 9252 1 15 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.977 -0.593 19751 9253 1 15 . 1 1 64 64 GLY H H 64 8.255 8.255 8.549 -0.294 19751 9254 1 15 . 1 1 65 65 THR N N 65 114.200 114.200 116.026 -1.826 19751 9255 1 15 . 1 1 65 65 THR HA H 65 4.929 4.929 5.117 -0.188 19751 9256 1 15 . 1 1 65 65 THR CA C 65 60.826 60.826 61.465 -0.639 19751 9257 1 15 . 1 1 65 65 THR CB C 65 71.805 71.805 72.608 -0.802 19751 9258 1 15 . 1 1 65 65 THR H H 65 8.468 8.468 8.296 0.172 19751 9259 1 15 . 1 1 66 66 LEU N N 66 122.673 122.673 122.689 -0.016 19751 9260 1 15 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.852 0.069 19751 9261 1 15 . 1 1 66 66 LEU C C 66 174.364 174.364 174.243 0.121 19751 9262 1 15 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.371 -0.961 19751 9263 1 15 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.393 -1.943 19751 9264 1 15 . 1 1 66 66 LEU H H 66 9.054 9.054 8.901 0.153 19751 9265 1 15 . 1 1 67 67 LEU N N 67 124.219 124.219 126.487 -2.268 19751 9266 1 15 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.923 0.285 19751 9267 1 15 . 1 1 67 67 LEU C C 67 177.107 177.107 175.554 1.553 19751 9268 1 15 . 1 1 67 67 LEU CA C 67 53.773 53.773 53.938 -0.165 19751 9269 1 15 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.527 0.679 19751 9270 1 15 . 1 1 67 67 LEU H H 67 8.927 8.927 9.141 -0.214 19751 9271 1 15 . 1 1 68 68 VAL N N 68 121.113 121.113 125.819 -4.706 19751 9272 1 15 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.251 0.605 19751 9273 1 15 . 1 1 68 68 VAL C C 68 174.079 174.079 174.290 -0.211 19751 9274 1 15 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.783 0.075 19751 9275 1 15 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.757 0.258 19751 9276 1 15 . 1 1 68 68 VAL H H 68 9.345 9.345 8.826 0.519 19751 9277 1 15 . 1 1 69 69 GLU N N 69 127.682 127.682 130.984 -3.302 19751 9278 1 15 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.662 0.237 19751 9279 1 15 . 1 1 69 69 GLU C C 69 173.485 173.485 174.892 -1.407 19751 9280 1 15 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.363 -1.016 19751 9281 1 15 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.905 0.066 19751 9282 1 15 . 1 1 69 69 GLU H H 69 8.110 8.110 8.638 -0.528 19751 9283 1 15 . 1 1 70 70 ALA N N 70 130.042 130.042 128.224 1.818 19751 9284 1 15 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.568 -0.004 19751 9285 1 15 . 1 1 70 70 ALA C C 70 174.853 174.853 175.656 -0.803 19751 9286 1 15 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.416 0.288 19751 9287 1 15 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.163 0.268 19751 9288 1 15 . 1 1 70 70 ALA H H 70 7.991 7.991 7.660 0.331 19751 9289 1 15 . 1 1 71 71 ASP N N 71 117.021 117.021 120.078 -3.057 19751 9290 1 15 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.699 -0.119 19751 9291 1 15 . 1 1 71 71 ASP C C 71 175.160 175.160 177.176 -2.016 19751 9292 1 15 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.674 -0.631 19751 9293 1 15 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.500 -1.578 19751 9294 1 15 . 1 1 71 71 ASP H H 71 8.025 8.025 8.491 -0.466 19751 9295 1 15 . 1 1 72 72 ASP N N 72 119.867 119.867 120.555 -0.688 19751 9296 1 15 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.735 0.388 19751 9297 1 15 . 1 1 72 72 ASP C C 72 177.598 177.598 177.501 0.097 19751 9298 1 15 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.742 0.715 19751 9299 1 15 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.496 -0.507 19751 9300 1 15 . 1 1 72 72 ASP H H 72 8.644 8.644 8.804 -0.160 19751 9301 1 15 . 1 1 73 73 ALA N N 73 120.735 120.735 120.453 0.282 19751 9302 1 15 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.037 -0.085 19751 9303 1 15 . 1 1 73 73 ALA C C 73 181.711 181.711 179.737 1.974 19751 9304 1 15 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.697 0.660 19751 9305 1 15 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.322 -0.501 19751 9306 1 15 . 1 1 73 73 ALA H H 73 8.212 8.212 8.425 -0.213 19751 9307 1 15 . 1 1 74 74 SER N N 74 116.971 116.971 114.237 2.734 19751 9308 1 15 . 1 1 74 74 SER HA H 74 4.207 4.207 4.186 0.021 19751 9309 1 15 . 1 1 74 74 SER C C 74 176.918 176.918 176.203 0.715 19751 9310 1 15 . 1 1 74 74 SER CA C 74 61.632 61.632 60.351 1.281 19751 9311 1 15 . 1 1 74 74 SER CB C 74 62.233 62.233 63.227 -0.994 19751 9312 1 15 . 1 1 74 74 SER H H 74 8.376 8.376 7.401 0.975 19751 9313 1 15 . 1 1 75 75 ALA N N 75 124.844 124.844 125.252 -0.408 19751 9314 1 15 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.745 0.077 19751 9315 1 15 . 1 1 75 75 ALA C C 75 179.160 179.160 178.907 0.253 19751 9316 1 15 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.162 0.139 19751 9317 1 15 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.513 0.999 19751 9318 1 15 . 1 1 75 75 ALA H H 75 9.121 9.121 7.752 1.369 19751 9319 1 15 . 1 1 76 76 LYS N N 76 117.821 117.821 117.635 0.186 19751 9320 1 15 . 1 1 76 76 LYS HA H 76 3.805 3.805 4.008 -0.203 19751 9321 1 15 . 1 1 76 76 LYS C C 76 179.175 179.175 178.400 0.775 19751 9322 1 15 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.321 0.817 19751 9323 1 15 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.833 0.529 19751 9324 1 15 . 1 1 76 76 LYS H H 76 8.306 8.306 7.745 0.561 19751 9325 1 15 . 1 1 77 77 ALA N N 77 122.703 122.703 121.154 1.549 19751 9326 1 15 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.166 0.024 19751 9327 1 15 . 1 1 77 77 ALA C C 77 180.868 180.868 179.664 1.204 19751 9328 1 15 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.598 0.554 19751 9329 1 15 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.273 -0.441 19751 9330 1 15 . 1 1 77 77 ALA H H 77 7.584 7.584 7.604 -0.020 19751 9331 1 15 . 1 1 78 78 LEU N N 78 120.574 120.574 118.877 1.697 19751 9332 1 15 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.104 -0.068 19751 9333 1 15 . 1 1 78 78 LEU C C 78 178.870 178.870 179.059 -0.189 19751 9334 1 15 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.973 0.915 19751 9335 1 15 . 1 1 78 78 LEU CB C 78 42.479 42.479 42.001 0.478 19751 9336 1 15 . 1 1 78 78 LEU H H 78 8.338 8.338 7.793 0.545 19751 9337 1 15 . 1 1 79 79 ALA N N 79 121.156 121.156 121.382 -0.226 19751 9338 1 15 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.130 -0.235 19751 9339 1 15 . 1 1 79 79 ALA C C 79 179.393 179.393 178.969 0.424 19751 9340 1 15 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.224 0.535 19751 9341 1 15 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.427 -1.171 19751 9342 1 15 . 1 1 79 79 ALA H H 79 8.491 8.491 8.513 -0.022 19751 9343 1 15 . 1 1 80 80 THR N N 80 114.097 114.097 112.181 1.916 19751 9344 1 15 . 1 1 80 80 THR HA H 80 4.048 4.048 4.260 -0.212 19751 9345 1 15 . 1 1 80 80 THR C C 80 177.034 177.034 176.284 0.750 19751 9346 1 15 . 1 1 80 80 THR CA C 80 66.139 66.139 65.743 0.396 19751 9347 1 15 . 1 1 80 80 THR CB C 80 69.243 69.243 68.990 0.253 19751 9348 1 15 . 1 1 80 80 THR H H 80 8.111 8.111 7.676 0.435 19751 9349 1 15 . 1 1 81 81 ARG N N 81 121.321 121.321 119.991 1.330 19751 9350 1 15 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.115 -0.172 19751 9351 1 15 . 1 1 81 81 ARG C C 81 177.546 177.546 178.090 -0.544 19751 9352 1 15 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.465 0.575 19751 9353 1 15 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.318 0.405 19751 9354 1 15 . 1 1 81 81 ARG H H 81 7.893 7.893 7.565 0.328 19751 9355 1 15 . 1 1 82 82 HIS N N 82 113.320 113.320 114.409 -1.089 19751 9356 1 15 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.559 0.150 19751 9357 1 15 . 1 1 82 82 HIS C C 82 174.918 174.918 176.333 -1.415 19751 9358 1 15 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.262 -1.100 19751 9359 1 15 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.435 1.073 19751 9360 1 15 . 1 1 82 82 HIS H H 82 7.684 7.684 7.936 -0.252 19751 9361 1 15 . 1 1 83 83 GLY N N 83 109.763 109.763 106.912 2.851 19751 9362 1 15 . 1 1 83 83 GLY C C 83 174.866 174.866 174.184 0.682 19751 9363 1 15 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.968 2.308 19751 9364 1 15 . 1 1 83 83 GLY H H 83 7.707 7.707 7.714 -0.007 19751 9365 1 15 . 1 1 84 84 LEU N N 84 119.225 119.225 118.424 0.801 19751 9366 1 15 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.639 0.195 19751 9367 1 15 . 1 1 84 84 LEU C C 84 174.880 174.880 176.419 -1.539 19751 9368 1 15 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.049 -1.180 19751 9369 1 15 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.792 2.291 19751 9370 1 15 . 1 1 84 84 LEU H H 84 8.672 8.672 7.290 1.382 19751 9371 1 15 . 1 1 85 85 ASN N N 85 117.042 117.042 117.189 -0.147 19751 9372 1 15 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.924 0.244 19751 9373 1 15 . 1 1 85 85 ASN C C 85 175.212 175.212 174.131 1.081 19751 9374 1 15 . 1 1 85 85 ASN CA C 85 51.858 51.858 51.878 -0.020 19751 9375 1 15 . 1 1 85 85 ASN CB C 85 40.882 40.882 41.341 -0.459 19751 9376 1 15 . 1 1 85 85 ASN H H 85 8.955 8.955 7.908 1.047 19751 9377 1 15 . 1 1 86 86 PHE N N 86 126.957 126.957 126.576 0.381 19751 9378 1 15 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.556 -0.115 19751 9379 1 15 . 1 1 86 86 PHE C C 86 173.744 173.744 174.990 -1.246 19751 9380 1 15 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.260 1.346 19751 9381 1 15 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.103 -0.039 19751 9382 1 15 . 1 1 86 86 PHE H H 86 9.221 9.221 8.913 0.308 19751 9383 1 15 . 1 1 87 87 LYS N N 87 129.305 129.305 128.735 0.570 19751 9384 1 15 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.084 0.267 19751 9385 1 15 . 1 1 87 87 LYS C C 87 175.203 175.203 176.195 -0.992 19751 9386 1 15 . 1 1 87 87 LYS CA C 87 56.697 56.697 57.299 -0.602 19751 9387 1 15 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.217 0.357 19751 9388 1 15 . 1 1 87 87 LYS H H 87 8.397 8.397 8.741 -0.344 19751 9389 1 15 . 1 1 88 88 GLN N N 88 110.785 110.785 114.189 -3.404 19751 9390 1 15 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.303 0.088 19751 9391 1 15 . 1 1 88 88 GLN C C 88 185.308 185.308 173.337 11.971 19751 9392 1 15 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.858 -0.105 19751 9393 1 15 . 1 1 88 88 GLN H H 88 6.855 6.855 7.938 -1.083 19751 9394 1 15 . 1 1 89 89 SER N N 89 113.927 113.927 113.691 0.236 19751 9395 1 15 . 1 1 89 89 SER HA H 89 5.298 5.298 5.138 0.160 19751 9396 1 15 . 1 1 89 89 SER C C 89 173.757 173.757 174.079 -0.322 19751 9397 1 15 . 1 1 89 89 SER CA C 89 56.776 56.776 57.114 -0.338 19751 9398 1 15 . 1 1 89 89 SER CB C 89 67.417 67.417 65.881 1.536 19751 9399 1 15 . 1 1 89 89 SER H H 89 8.718 8.718 8.385 0.333 19751 9400 1 15 . 1 1 90 90 SER N N 90 114.246 114.246 118.338 -4.092 19751 9401 1 15 . 1 1 90 90 SER HA H 90 4.597 4.597 4.600 -0.003 19751 9402 1 15 . 1 1 90 90 SER CA C 90 58.356 58.356 57.916 0.439 19751 9403 1 15 . 1 1 90 90 SER CB C 90 63.952 63.952 63.167 0.785 19751 9404 1 15 . 1 1 90 90 SER H H 90 8.479 8.479 8.519 -0.040 19751 9405 1 15 . 1 1 91 91 GLY N N 91 116.101 116.101 108.458 7.643 19751 9406 1 15 . 1 1 91 91 GLY C C 91 174.853 174.853 174.277 0.576 19751 9407 1 15 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.773 1.382 19751 9408 1 15 . 1 1 91 91 GLY H H 91 8.490 8.490 8.297 0.193 19751 9409 1 15 . 1 1 92 92 GLY N N 92 107.199 107.199 106.333 0.866 19751 9410 1 15 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.261 -0.595 19751 9411 1 15 . 1 1 92 92 GLY H H 92 8.914 8.914 8.177 0.737 19751 9412 1 15 . 1 1 93 93 ILE N N 93 118.958 118.958 118.047 0.911 19751 9413 1 15 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.958 -0.220 19751 9414 1 15 . 1 1 93 93 ILE C C 93 175.050 175.050 173.866 1.184 19751 9415 1 15 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.053 -0.518 19751 9416 1 15 . 1 1 93 93 ILE CB C 93 38.109 38.109 40.710 -2.601 19751 9417 1 15 . 1 1 93 93 ILE H H 93 7.540 7.540 7.625 -0.085 19751 9418 1 15 . 1 1 94 94 ALA N N 94 131.032 131.032 129.252 1.780 19751 9419 1 15 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.169 -0.441 19751 9420 1 15 . 1 1 94 94 ALA C C 94 174.512 174.512 177.143 -2.631 19751 9421 1 15 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.159 0.279 19751 9422 1 15 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.951 1.861 19751 9423 1 15 . 1 1 94 94 ALA H H 94 9.561 9.561 9.147 0.414 19751 9424 1 15 . 1 1 95 95 LEU N N 95 123.066 123.066 124.512 -1.446 19751 9425 1 15 . 1 1 95 95 LEU HA H 95 4.963 4.963 5.085 -0.122 19751 9426 1 15 . 1 1 95 95 LEU C C 95 174.922 174.922 175.970 -1.048 19751 9427 1 15 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.517 -0.002 19751 9428 1 15 . 1 1 95 95 LEU CB C 95 43.205 43.205 41.004 2.201 19751 9429 1 15 . 1 1 95 95 LEU H H 95 8.641 8.641 8.111 0.530 19751 9430 1 15 . 1 1 96 96 LEU N N 96 124.843 124.843 124.271 0.572 19751 9431 1 15 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.233 -0.062 19751 9432 1 15 . 1 1 96 96 LEU C C 96 175.059 175.059 176.947 -1.888 19751 9433 1 15 . 1 1 96 96 LEU CA C 96 52.639 52.639 52.917 -0.279 19751 9434 1 15 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.875 0.394 19751 9435 1 15 . 1 1 96 96 LEU H H 96 9.235 9.235 9.093 0.142 19751 9436 1 15 . 1 1 97 97 GLU N N 97 121.306 121.306 120.847 0.459 19751 9437 1 15 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.568 0.291 19751 9438 1 15 . 1 1 97 97 GLU C C 97 175.343 175.343 175.119 0.224 19751 9439 1 15 . 1 1 97 97 GLU CA C 97 55.091 55.091 55.094 -0.003 19751 9440 1 15 . 1 1 97 97 GLU CB C 97 33.415 33.415 31.011 2.404 19751 9441 1 15 . 1 1 97 97 GLU H H 97 9.113 9.113 8.256 0.857 19751 9442 1 15 . 1 1 98 98 ALA N N 98 126.658 126.658 127.507 -0.849 19751 9443 1 15 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.317 0.457 19751 9444 1 15 . 1 1 98 98 ALA C C 98 176.880 176.880 177.399 -0.519 19751 9445 1 15 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.704 -1.109 19751 9446 1 15 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.760 1.623 19751 9447 1 15 . 1 1 98 98 ALA H H 98 8.731 8.731 8.444 0.287 19751 9448 1 15 . 1 1 99 99 LYS N N 99 121.674 121.674 122.725 -1.051 19751 9449 1 15 . 1 1 99 99 LYS H H 99 8.636 8.636 8.346 0.290 19751 9450 1 15 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.290 0.172 19751 9451 1 15 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.581 -0.093 19751 9452 1 15 . 1 1 100 100 PRO CB C 100 32.186 32.186 31.161 1.025 19751 9453 1 15 . 1 1 101 101 GLY N N 101 110.695 110.695 115.002 -4.307 19751 9454 1 15 . 1 1 101 101 GLY C C 101 174.676 174.676 174.478 0.198 19751 9455 1 15 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.875 0.308 19751 9456 1 15 . 1 1 101 101 GLY H H 101 8.709 8.709 8.313 0.396 19751 9457 1 15 . 1 1 102 102 THR N N 102 116.771 116.771 118.945 -2.174 19751 9458 1 15 . 1 1 102 102 THR HA H 102 4.134 4.134 4.366 -0.232 19751 9459 1 15 . 1 1 102 102 THR CA C 102 62.998 62.998 63.101 -0.103 19751 9460 1 15 . 1 1 102 102 THR CB C 102 69.736 69.736 69.711 0.025 19751 9461 1 15 . 1 1 102 102 THR H H 102 7.652 7.652 7.567 0.085 19751 9462 1 15 . 1 1 103 103 ASP N N 103 125.950 125.950 127.856 -1.906 19751 9463 1 15 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.838 -0.134 19751 9464 1 15 . 1 1 103 103 ASP C C 103 175.907 175.907 177.115 -1.208 19751 9465 1 15 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.994 -1.247 19751 9466 1 15 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.454 0.533 19751 9467 1 15 . 1 1 103 103 ASP H H 103 8.849 8.849 8.685 0.164 19751 9468 1 15 . 1 1 104 104 LEU N N 104 127.195 127.195 120.166 7.029 19751 9469 1 15 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.850 0.021 19751 9470 1 15 . 1 1 104 104 LEU C C 104 178.528 178.528 177.899 0.629 19751 9471 1 15 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.198 -0.770 19751 9472 1 15 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.418 0.764 19751 9473 1 15 . 1 1 104 104 LEU H H 104 8.464 8.464 7.607 0.857 19751 9474 1 15 . 1 1 105 105 ASN N N 105 116.748 116.748 117.151 -0.403 19751 9475 1 15 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.295 0.042 19751 9476 1 15 . 1 1 105 105 ASN C C 105 177.999 177.999 176.840 1.159 19751 9477 1 15 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.316 0.226 19751 9478 1 15 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.128 0.097 19751 9479 1 15 . 1 1 105 105 ASN H H 105 8.225 8.225 8.349 -0.124 19751 9480 1 15 . 1 1 106 106 ALA N N 106 123.704 123.704 121.746 1.958 19751 9481 1 15 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.132 -0.046 19751 9482 1 15 . 1 1 106 106 ALA C C 106 181.021 181.021 179.452 1.569 19751 9483 1 15 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.324 0.560 19751 9484 1 15 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.489 -0.506 19751 9485 1 15 . 1 1 106 106 ALA H H 106 7.810 7.810 7.493 0.317 19751 9486 1 15 . 1 1 107 107 ILE N N 107 118.676 118.676 118.813 -0.137 19751 9487 1 15 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.485 0.169 19751 9488 1 15 . 1 1 107 107 ILE C C 107 177.324 177.324 178.256 -0.932 19751 9489 1 15 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.687 -0.852 19751 9490 1 15 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.415 0.192 19751 9491 1 15 . 1 1 107 107 ILE H H 107 7.582 7.582 7.419 0.163 19751 9492 1 15 . 1 1 108 108 ALA N N 108 122.550 122.550 121.499 1.051 19751 9493 1 15 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.924 -0.123 19751 9494 1 15 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.112 0.966 19751 9495 1 15 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.883 0.054 19751 9496 1 15 . 1 1 108 108 ALA H H 108 8.551 8.551 7.788 0.763 19751 9497 1 15 . 1 1 109 109 THR N N 109 113.975 113.975 112.960 1.015 19751 9498 1 15 . 1 1 109 109 THR HA H 109 3.806 3.806 4.055 -0.249 19751 9499 1 15 . 1 1 109 109 THR C C 109 176.632 176.632 176.418 0.214 19751 9500 1 15 . 1 1 109 109 THR CA C 109 67.362 67.362 66.511 0.851 19751 9501 1 15 . 1 1 109 109 THR CB C 109 68.554 68.554 68.434 0.120 19751 9502 1 15 . 1 1 109 109 THR H H 109 8.197 8.197 7.382 0.815 19751 9503 1 15 . 1 1 110 110 LYS N N 110 123.603 123.603 120.799 2.804 19751 9504 1 15 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.261 -0.184 19751 9505 1 15 . 1 1 110 110 LYS C C 110 179.640 179.640 177.829 1.811 19751 9506 1 15 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.644 1.721 19751 9507 1 15 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.011 0.060 19751 9508 1 15 . 1 1 110 110 LYS H H 110 7.656 7.656 7.841 -0.185 19751 9509 1 15 . 1 1 111 111 LEU N N 111 120.492 120.492 119.210 1.282 19751 9510 1 15 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.223 -0.366 19751 9511 1 15 . 1 1 111 111 LEU C C 111 179.289 179.289 178.960 0.329 19751 9512 1 15 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.782 0.334 19751 9513 1 15 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.733 -0.618 19751 9514 1 15 . 1 1 111 111 LEU H H 111 8.441 8.441 7.386 1.055 19751 9515 1 15 . 1 1 112 112 LYS N N 112 120.305 120.305 118.184 2.121 19751 9516 1 15 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.233 0.208 19751 9517 1 15 . 1 1 112 112 LYS C C 112 181.574 181.574 178.800 2.774 19751 9518 1 15 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.917 0.694 19751 9519 1 15 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.960 0.333 19751 9520 1 15 . 1 1 112 112 LYS H H 112 8.452 8.452 8.086 0.366 19751 9521 1 15 . 1 1 113 113 SER N N 113 116.992 116.992 114.269 2.723 19751 9522 1 15 . 1 1 113 113 SER HA H 113 4.389 4.389 4.257 0.132 19751 9523 1 15 . 1 1 113 113 SER C C 113 175.200 175.200 175.756 -0.556 19751 9524 1 15 . 1 1 113 113 SER CA C 113 61.260 61.260 60.764 0.496 19751 9525 1 15 . 1 1 113 113 SER CB C 113 62.863 62.863 63.047 -0.184 19751 9526 1 15 . 1 1 113 113 SER H H 113 7.995 7.995 7.791 0.204 19751 9527 1 15 . 1 1 114 114 GLU N N 114 120.677 120.677 118.886 1.791 19751 9528 1 15 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.382 0.049 19751 9529 1 15 . 1 1 114 114 GLU C C 114 176.506 176.506 176.849 -0.343 19751 9530 1 15 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.486 -0.174 19751 9531 1 15 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.937 -1.540 19751 9532 1 15 . 1 1 114 114 GLU H H 114 7.577 7.577 7.903 -0.326 19751 9533 1 15 . 1 1 115 115 GLY N N 115 107.383 107.383 107.709 -0.326 19751 9534 1 15 . 1 1 115 115 GLY C C 115 174.019 174.019 173.521 0.498 19751 9535 1 15 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.770 0.728 19751 9536 1 15 . 1 1 115 115 GLY H H 115 7.947 7.947 7.702 0.245 19751 9537 1 15 . 1 1 116 116 VAL N N 116 121.389 121.389 120.634 0.755 19751 9538 1 15 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.178 -0.046 19751 9539 1 15 . 1 1 116 116 VAL C C 116 175.092 175.092 175.094 -0.002 19751 9540 1 15 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.555 0.522 19751 9541 1 15 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.574 0.469 19751 9542 1 15 . 1 1 116 116 VAL H H 116 7.704 7.704 7.448 0.256 19751 9543 1 15 . 1 1 117 117 ASN N N 117 125.670 125.670 127.437 -1.767 19751 9544 1 15 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.892 -0.098 19751 9545 1 15 . 1 1 117 117 ASN C C 117 173.847 173.847 173.992 -0.145 19751 9546 1 15 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.889 -0.685 19751 9547 1 15 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.899 -0.898 19751 9548 1 15 . 1 1 117 117 ASN H H 117 9.161 9.161 8.378 0.783 19751 9549 1 15 . 1 1 118 118 VAL N N 118 121.648 121.648 117.448 4.200 19751 9550 1 15 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.027 0.246 19751 9551 1 15 . 1 1 118 118 VAL C C 118 173.553 173.553 173.905 -0.352 19751 9552 1 15 . 1 1 118 118 VAL CA C 118 58.505 58.505 58.937 -0.432 19751 9553 1 15 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.438 -0.349 19751 9554 1 15 . 1 1 118 118 VAL H H 118 7.811 7.811 7.901 -0.090 19751 9555 1 15 . 1 1 119 119 GLN N N 119 124.298 124.298 120.341 3.957 19751 9556 1 15 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.703 -0.050 19751 9557 1 15 . 1 1 119 119 GLN C C 119 174.263 174.263 173.838 0.425 19751 9558 1 15 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.084 0.159 19751 9559 1 15 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.399 0.127 19751 9560 1 15 . 1 1 119 119 GLN H H 119 8.746 8.746 8.226 0.520 19751 9561 1 15 . 1 1 120 120 ILE N N 120 122.997 122.997 126.737 -3.740 19751 9562 1 15 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.259 0.189 19751 9563 1 15 . 1 1 120 120 ILE C C 120 175.616 175.616 175.552 0.064 19751 9564 1 15 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.001 0.956 19751 9565 1 15 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.422 3.508 19751 9566 1 15 . 1 1 120 120 ILE H H 120 8.670 8.670 8.577 0.093 19751 9567 1 15 . 1 1 121 121 GLU N N 121 128.460 128.460 128.469 -0.009 19751 9568 1 15 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.569 -0.074 19751 9569 1 15 . 1 1 121 121 GLU C C 121 175.490 175.490 174.616 0.874 19751 9570 1 15 . 1 1 121 121 GLU CA C 121 55.649 55.649 53.796 1.853 19751 9571 1 15 . 1 1 121 121 GLU CB C 121 31.190 31.190 33.443 -2.253 19751 9572 1 15 . 1 1 121 121 GLU H H 121 8.641 8.641 8.708 -0.067 19751 9573 1 15 . 1 1 122 122 LEU N N 122 126.756 126.756 119.816 6.940 19751 9574 1 15 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.682 -0.103 19751 9575 1 15 . 1 1 122 122 LEU C C 122 177.291 177.291 176.162 1.129 19751 9576 1 15 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.337 1.175 19751 9577 1 15 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.686 -2.264 19751 9578 1 15 . 1 1 122 122 LEU H H 122 8.642 8.642 8.332 0.310 19751 9579 1 15 . 1 1 123 123 SER N N 123 117.273 117.273 115.370 1.903 19751 9580 1 15 . 1 1 123 123 SER HA H 123 4.430 4.430 4.551 -0.121 19751 9581 1 15 . 1 1 123 123 SER C C 123 175.066 175.066 174.311 0.755 19751 9582 1 15 . 1 1 123 123 SER CA C 123 58.499 58.499 58.030 0.469 19751 9583 1 15 . 1 1 123 123 SER CB C 123 63.946 63.946 62.625 1.321 19751 9584 1 15 . 1 1 123 123 SER H H 123 8.496 8.496 8.965 -0.469 19751 9585 1 15 . 1 1 124 124 GLY N N 124 111.280 111.280 108.634 2.646 19751 9586 1 15 . 1 1 124 124 GLY C C 124 174.099 174.099 173.922 0.177 19751 9587 1 15 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.147 -0.768 19751 9588 1 15 . 1 1 124 124 GLY H H 124 8.566 8.566 8.256 0.310 19751 9589 1 15 . 1 1 125 125 ALA N N 125 123.586 123.586 122.544 1.042 19751 9590 1 15 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.133 0.174 19751 9591 1 15 . 1 1 125 125 ALA C C 125 177.915 177.915 177.250 0.665 19751 9592 1 15 . 1 1 125 125 ALA CA C 125 52.617 52.617 53.926 -1.309 19751 9593 1 15 . 1 1 125 125 ALA CB C 125 19.308 19.308 18.762 0.546 19751 9594 1 15 . 1 1 125 125 ALA H H 125 8.158 8.158 8.365 -0.207 19751 9595 1 15 . 1 1 126 126 GLU N N 126 120.076 120.076 117.217 2.859 19751 9596 1 15 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.539 -0.188 19751 9597 1 15 . 1 1 126 126 GLU C C 126 176.544 176.544 175.497 1.047 19751 9598 1 15 . 1 1 126 126 GLU CA C 126 56.883 56.883 54.732 2.151 19751 9599 1 15 . 1 1 126 126 GLU CB C 126 30.610 30.610 32.033 -1.423 19751 9600 1 15 . 1 1 126 126 GLU H H 126 8.524 8.524 8.030 0.494 19751 9601 1 15 . 1 1 127 127 GLN N N 127 121.453 121.453 120.123 1.330 19751 9602 1 15 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.192 0.115 19751 9603 1 15 . 1 1 127 127 GLN C C 127 175.691 175.691 175.788 -0.097 19751 9604 1 15 . 1 1 127 127 GLN CA C 127 55.580 55.580 56.241 -0.661 19751 9605 1 15 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.463 0.240 19751 9606 1 15 . 1 1 127 127 GLN H H 127 8.356 8.356 8.464 -0.108 19751 9607 1 15 . 1 1 128 128 GLN N N 128 122.570 122.570 119.330 3.240 19751 9608 1 15 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.666 -0.081 19751 9609 1 15 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.546 0.198 19751 9610 1 15 . 1 1 128 128 GLN CB C 128 28.864 28.864 28.369 0.495 19751 9611 1 15 . 1 1 128 128 GLN H H 128 8.348 8.348 8.485 -0.137 19751 9612 1 15 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.492 -0.091 19751 9613 1 15 . 1 1 129 129 PRO C C 129 175.988 175.988 177.216 -1.228 19751 9614 1 15 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.521 0.928 19751 9615 1 15 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.122 -0.165 19751 9616 1 16 . 1 1 2 2 GLU N N 2 122.196 122.196 121.723 0.473 19751 9617 1 16 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.540 -0.305 19751 9618 1 16 . 1 1 2 2 GLU C C 2 175.712 175.712 175.699 0.013 19751 9619 1 16 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.588 0.044 19751 9620 1 16 . 1 1 2 2 GLU CB C 2 29.971 29.971 29.703 0.268 19751 9621 1 16 . 1 1 2 2 GLU H H 2 8.617 8.617 8.471 0.146 19751 9622 1 16 . 1 1 3 3 SER N N 3 116.623 116.623 120.181 -3.558 19751 9623 1 16 . 1 1 3 3 SER HA H 3 4.597 4.597 4.742 -0.145 19751 9624 1 16 . 1 1 3 3 SER C C 3 174.294 174.294 173.174 1.120 19751 9625 1 16 . 1 1 3 3 SER CA C 3 58.386 58.386 57.782 0.604 19751 9626 1 16 . 1 1 3 3 SER CB C 3 64.039 64.039 64.877 -0.839 19751 9627 1 16 . 1 1 3 3 SER H H 3 8.305 8.305 8.473 -0.168 19751 9628 1 16 . 1 1 4 4 VAL N N 4 121.759 121.759 121.066 0.693 19751 9629 1 16 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.449 -0.140 19751 9630 1 16 . 1 1 4 4 VAL C C 4 176.177 176.177 175.266 0.911 19751 9631 1 16 . 1 1 4 4 VAL CA C 4 61.709 61.709 62.491 -0.782 19751 9632 1 16 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.107 0.248 19751 9633 1 16 . 1 1 4 4 VAL H H 4 8.303 8.303 8.492 -0.189 19751 9634 1 16 . 1 1 5 5 THR N N 5 118.335 118.335 120.321 -1.986 19751 9635 1 16 . 1 1 5 5 THR HA H 5 4.592 4.592 4.604 -0.012 19751 9636 1 16 . 1 1 5 5 THR C C 5 173.579 173.579 173.764 -0.185 19751 9637 1 16 . 1 1 5 5 THR CA C 5 62.022 62.022 61.406 0.616 19751 9638 1 16 . 1 1 5 5 THR CB C 5 70.047 70.047 69.825 0.222 19751 9639 1 16 . 1 1 5 5 THR H H 5 8.319 8.319 7.895 0.424 19751 9640 1 16 . 1 1 6 6 MET N N 6 123.858 123.858 119.415 4.443 19751 9641 1 16 . 1 1 6 6 MET CA C 6 57.260 57.260 55.785 1.474 19751 9642 1 16 . 1 1 6 6 MET CB C 6 33.780 33.780 31.448 2.332 19751 9643 1 16 . 1 1 6 6 MET H H 6 8.035 8.035 8.401 -0.366 19751 9644 1 16 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.779 -0.282 19751 9645 1 16 . 1 1 7 7 ASP CA C 7 55.150 55.150 53.821 1.329 19751 9646 1 16 . 1 1 7 7 ASP CB C 7 41.264 41.264 41.931 -0.667 19751 9647 1 16 . 1 1 8 8 GLY N N 8 114.130 114.130 108.170 5.960 19751 9648 1 16 . 1 1 8 8 GLY CA C 8 45.613 45.613 45.059 0.554 19751 9649 1 16 . 1 1 8 8 GLY H H 8 8.386 8.386 8.236 0.150 19751 9650 1 16 . 1 1 9 9 LYS N N 9 120.803 120.803 121.584 -0.781 19751 9651 1 16 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.538 -0.194 19751 9652 1 16 . 1 1 9 9 LYS H H 9 8.021 8.021 8.441 -0.420 19751 9653 1 16 . 1 1 10 10 GLN N N 10 120.522 120.522 118.965 1.557 19751 9654 1 16 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.184 0.283 19751 9655 1 16 . 1 1 10 10 GLN CA C 10 55.281 55.281 54.954 0.327 19751 9656 1 16 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.128 0.282 19751 9657 1 16 . 1 1 10 10 GLN H H 10 8.246 8.246 7.958 0.288 19751 9658 1 16 . 1 1 11 11 TYR N N 11 121.213 121.213 120.070 1.143 19751 9659 1 16 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.959 -0.660 19751 9660 1 16 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.870 -0.921 19751 9661 1 16 . 1 1 11 11 TYR CB C 11 43.274 43.274 40.249 3.025 19751 9662 1 16 . 1 1 11 11 TYR H H 11 8.873 8.873 8.575 0.298 19751 9663 1 16 . 1 1 12 12 SER N N 12 117.406 117.406 115.370 2.036 19751 9664 1 16 . 1 1 12 12 SER HA H 12 4.715 4.715 4.640 0.075 19751 9665 1 16 . 1 1 12 12 SER CA C 12 57.374 57.374 57.571 -0.197 19751 9666 1 16 . 1 1 12 12 SER CB C 12 63.946 63.946 64.003 -0.057 19751 9667 1 16 . 1 1 12 12 SER H H 12 9.047 9.047 8.383 0.664 19751 9668 1 16 . 1 1 13 13 THR N N 13 112.091 112.091 115.479 -3.388 19751 9669 1 16 . 1 1 13 13 THR HA H 13 4.929 4.929 4.521 0.408 19751 9670 1 16 . 1 1 13 13 THR CA C 13 60.716 60.716 61.864 -1.148 19751 9671 1 16 . 1 1 13 13 THR CB C 13 71.808 71.808 69.332 2.476 19751 9672 1 16 . 1 1 13 13 THR H H 13 8.235 8.235 8.171 0.064 19751 9673 1 16 . 1 1 14 14 ILE N N 14 120.891 120.891 126.299 -5.408 19751 9674 1 16 . 1 1 14 14 ILE H H 14 9.108 9.108 8.266 0.842 19751 9675 1 16 . 1 1 15 15 GLU N N 15 127.598 127.598 128.364 -0.766 19751 9676 1 16 . 1 1 15 15 GLU H H 15 8.300 8.300 8.468 -0.168 19751 9677 1 16 . 1 1 16 16 VAL N N 16 126.224 126.224 123.521 2.703 19751 9678 1 16 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.374 -0.090 19751 9679 1 16 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.669 0.166 19751 9680 1 16 . 1 1 16 16 VAL CB C 16 34.896 34.896 33.447 1.449 19751 9681 1 16 . 1 1 16 16 VAL H H 16 9.320 9.320 8.241 1.079 19751 9682 1 16 . 1 1 17 17 ASN N N 17 123.394 123.394 125.707 -2.313 19751 9683 1 16 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.418 0.746 19751 9684 1 16 . 1 1 17 17 ASN CA C 17 53.549 53.549 54.252 -0.703 19751 9685 1 16 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.137 0.078 19751 9686 1 16 . 1 1 17 17 ASN H H 17 9.310 9.310 9.327 -0.017 19751 9687 1 16 . 1 1 18 18 GLY H H 18 9.024 9.024 8.403 0.621 19751 9688 1 16 . 1 1 19 19 GLN N N 19 119.994 119.994 120.105 -0.111 19751 9689 1 16 . 1 1 19 19 GLN H H 19 7.990 7.990 8.026 -0.036 19751 9690 1 16 . 1 1 20 20 THR N N 20 117.472 117.472 114.962 2.510 19751 9691 1 16 . 1 1 20 20 THR HA H 20 4.384 4.384 4.690 -0.306 19751 9692 1 16 . 1 1 20 20 THR CA C 20 63.334 63.334 61.300 2.034 19751 9693 1 16 . 1 1 20 20 THR CB C 20 69.401 69.401 70.619 -1.218 19751 9694 1 16 . 1 1 20 20 THR H H 20 8.401 8.401 8.380 0.021 19751 9695 1 16 . 1 1 21 21 TYR N N 21 126.847 126.847 122.883 3.964 19751 9696 1 16 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.609 -0.447 19751 9697 1 16 . 1 1 21 21 TYR CA C 21 57.487 57.487 58.337 -0.850 19751 9698 1 16 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.278 4.052 19751 9699 1 16 . 1 1 21 21 TYR H H 21 9.367 9.367 8.482 0.885 19751 9700 1 16 . 1 1 22 22 LEU N N 22 118.537 118.537 125.736 -7.199 19751 9701 1 16 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.786 -0.594 19751 9702 1 16 . 1 1 22 22 LEU CA C 22 56.922 56.922 53.907 3.015 19751 9703 1 16 . 1 1 22 22 LEU CB C 22 43.212 43.212 44.646 -1.434 19751 9704 1 16 . 1 1 22 22 LEU H H 22 9.060 9.060 8.321 0.739 19751 9705 1 16 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.569 -0.178 19751 9706 1 16 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.782 0.552 19751 9707 1 16 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.712 -0.572 19751 9708 1 16 . 1 1 25 25 ASP N N 25 121.554 121.554 121.430 0.124 19751 9709 1 16 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.860 -0.268 19751 9710 1 16 . 1 1 25 25 ASP CA C 25 54.308 54.308 54.416 -0.108 19751 9711 1 16 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.819 -0.732 19751 9712 1 16 . 1 1 25 25 ASP H H 25 8.324 8.324 8.580 -0.256 19751 9713 1 16 . 1 1 26 26 ASN HA H 26 4.739 4.739 5.123 -0.384 19751 9714 1 16 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.257 -0.601 19751 9715 1 16 . 1 1 26 26 ASN CB C 26 39.132 39.132 40.165 -1.033 19751 9716 1 16 . 1 1 27 27 GLY N N 27 109.206 109.206 109.479 -0.273 19751 9717 1 16 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.660 0.754 19751 9718 1 16 . 1 1 27 27 GLY H H 27 8.494 8.494 8.652 -0.158 19751 9719 1 16 . 1 1 28 28 SER N N 28 116.238 116.238 116.177 0.061 19751 9720 1 16 . 1 1 28 28 SER HA H 28 4.384 4.384 4.954 -0.570 19751 9721 1 16 . 1 1 28 28 SER CA C 28 60.226 60.226 58.055 2.171 19751 9722 1 16 . 1 1 28 28 SER CB C 28 63.818 63.818 64.238 -0.420 19751 9723 1 16 . 1 1 28 28 SER H H 28 8.372 8.372 8.766 -0.394 19751 9724 1 16 . 1 1 29 29 LYS N N 29 121.905 121.905 123.422 -1.517 19751 9725 1 16 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.845 -0.514 19751 9726 1 16 . 1 1 29 29 LYS CA C 29 56.353 56.353 55.469 0.883 19751 9727 1 16 . 1 1 29 29 LYS CB C 29 33.347 33.347 34.550 -1.203 19751 9728 1 16 . 1 1 29 29 LYS H H 29 8.027 8.027 8.409 -0.382 19751 9729 1 16 . 1 1 30 30 LYS N N 30 122.663 122.663 122.122 0.541 19751 9730 1 16 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.813 -0.519 19751 9731 1 16 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.069 1.145 19751 9732 1 16 . 1 1 30 30 LYS CB C 30 33.171 33.171 35.230 -2.059 19751 9733 1 16 . 1 1 30 30 LYS H H 30 8.223 8.223 8.953 -0.730 19751 9734 1 16 . 1 1 31 31 ARG N N 31 123.469 123.469 120.363 3.106 19751 9735 1 16 . 1 1 31 31 ARG HA H 31 4.355 4.355 5.000 -0.645 19751 9736 1 16 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.174 1.121 19751 9737 1 16 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.611 0.243 19751 9738 1 16 . 1 1 31 31 ARG H H 31 8.404 8.404 8.762 -0.358 19751 9739 1 16 . 1 1 32 32 VAL N N 32 122.456 122.456 114.872 7.584 19751 9740 1 16 . 1 1 32 32 VAL HA H 32 4.243 4.243 5.024 -0.781 19751 9741 1 16 . 1 1 32 32 VAL CA C 32 62.316 62.316 60.754 1.562 19751 9742 1 16 . 1 1 32 32 VAL CB C 32 32.863 32.863 35.033 -2.170 19751 9743 1 16 . 1 1 32 32 VAL H H 32 8.214 8.214 8.944 -0.730 19751 9744 1 16 . 1 1 33 33 ALA N N 33 127.685 127.685 127.719 -0.034 19751 9745 1 16 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.499 -0.197 19751 9746 1 16 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.972 0.645 19751 9747 1 16 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.553 -1.246 19751 9748 1 16 . 1 1 33 33 ALA H H 33 8.374 8.374 8.522 -0.148 19751 9749 1 16 . 1 1 34 34 ARG N N 34 119.922 119.922 121.632 -1.710 19751 9750 1 16 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.644 -0.321 19751 9751 1 16 . 1 1 34 34 ARG CA C 34 56.820 56.820 56.330 0.490 19751 9752 1 16 . 1 1 34 34 ARG CB C 34 30.160 30.160 29.779 0.381 19751 9753 1 16 . 1 1 34 34 ARG H H 34 8.652 8.652 8.516 0.136 19751 9754 1 16 . 1 1 35 35 SER N N 35 116.881 116.881 117.554 -0.673 19751 9755 1 16 . 1 1 35 35 SER HA H 35 4.543 4.543 4.534 0.009 19751 9756 1 16 . 1 1 35 35 SER CA C 35 58.440 58.440 58.188 0.252 19751 9757 1 16 . 1 1 35 35 SER CB C 35 64.094 64.094 63.793 0.301 19751 9758 1 16 . 1 1 35 35 SER H H 35 8.359 8.359 8.352 0.007 19751 9759 1 16 . 1 1 36 36 LEU N N 36 124.595 124.595 125.575 -0.980 19751 9760 1 16 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.837 -0.464 19751 9761 1 16 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.262 0.332 19751 9762 1 16 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.767 -1.489 19751 9763 1 16 . 1 1 36 36 LEU H H 36 8.546 8.546 8.863 -0.317 19751 9764 1 16 . 1 1 37 37 ASP N N 37 119.422 119.422 124.783 -5.361 19751 9765 1 16 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.118 -0.526 19751 9766 1 16 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.519 0.789 19751 9767 1 16 . 1 1 37 37 ASP CB C 37 41.182 41.182 43.085 -1.903 19751 9768 1 16 . 1 1 37 37 ASP H H 37 8.186 8.186 8.817 -0.631 19751 9769 1 16 . 1 1 38 38 SER N N 38 116.413 116.413 116.386 0.027 19751 9770 1 16 . 1 1 38 38 SER HA H 38 4.450 4.450 4.707 -0.257 19751 9771 1 16 . 1 1 38 38 SER CA C 38 58.499 58.499 58.627 -0.128 19751 9772 1 16 . 1 1 38 38 SER CB C 38 63.818 63.818 64.453 -0.635 19751 9773 1 16 . 1 1 38 38 SER H H 38 8.177 8.177 8.548 -0.371 19751 9774 1 16 . 1 1 39 39 LYS N N 39 123.095 123.095 122.998 0.097 19751 9775 1 16 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.457 -0.120 19751 9776 1 16 . 1 1 39 39 LYS CA C 39 56.679 56.679 56.964 -0.284 19751 9777 1 16 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.644 -1.412 19751 9778 1 16 . 1 1 39 39 LYS H H 39 8.379 8.379 8.393 -0.014 19751 9779 1 16 . 1 1 40 40 VAL N N 40 122.475 122.475 123.002 -0.527 19751 9780 1 16 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.291 0.097 19751 9781 1 16 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.290 -1.129 19751 9782 1 16 . 1 1 40 40 VAL CB C 40 32.615 32.615 33.377 -0.762 19751 9783 1 16 . 1 1 40 40 VAL H H 40 8.069 8.069 8.499 -0.430 19751 9784 1 16 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.610 -0.189 19751 9785 1 16 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.013 -0.255 19751 9786 1 16 . 1 1 41 41 PRO CB C 41 32.307 32.307 31.348 0.959 19751 9787 1 16 . 1 1 42 42 GLN N N 42 121.230 121.230 122.875 -1.645 19751 9788 1 16 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.415 -0.136 19751 9789 1 16 . 1 1 42 42 GLN CA C 42 56.028 56.028 56.004 0.024 19751 9790 1 16 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.566 -0.847 19751 9791 1 16 . 1 1 42 42 GLN H H 42 8.482 8.482 8.695 -0.213 19751 9792 1 16 . 1 1 43 43 GLN N N 43 121.831 121.831 123.015 -1.184 19751 9793 1 16 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.770 -0.381 19751 9794 1 16 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.157 0.767 19751 9795 1 16 . 1 1 43 43 GLN CB C 43 29.529 29.529 31.144 -1.615 19751 9796 1 16 . 1 1 43 43 GLN H H 43 8.506 8.506 8.757 -0.251 19751 9797 1 16 . 1 1 44 44 THR N N 44 116.251 116.251 118.009 -1.758 19751 9798 1 16 . 1 1 44 44 THR HA H 44 4.302 4.302 4.473 -0.171 19751 9799 1 16 . 1 1 44 44 THR CA C 44 61.922 61.922 62.457 -0.535 19751 9800 1 16 . 1 1 44 44 THR CB C 44 69.811 69.811 69.697 0.114 19751 9801 1 16 . 1 1 44 44 THR H H 44 8.231 8.231 8.364 -0.133 19751 9802 1 16 . 1 1 45 45 LEU N N 45 125.046 125.046 127.789 -2.743 19751 9803 1 16 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.727 -0.229 19751 9804 1 16 . 1 1 45 45 LEU CA C 45 55.107 55.107 55.524 -0.417 19751 9805 1 16 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.376 -0.564 19751 9806 1 16 . 1 1 45 45 LEU H H 45 8.257 8.257 8.476 -0.219 19751 9807 1 16 . 1 1 46 46 ARG N N 46 120.522 120.522 123.872 -3.350 19751 9808 1 16 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.607 -0.374 19751 9809 1 16 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.117 1.347 19751 9810 1 16 . 1 1 46 46 ARG CB C 46 29.971 29.971 31.663 -1.692 19751 9811 1 16 . 1 1 46 46 ARG H H 46 8.007 8.007 8.511 -0.504 19751 9812 1 16 . 1 1 47 47 ARG N N 47 121.010 121.010 121.217 -0.207 19751 9813 1 16 . 1 1 47 47 ARG H H 47 8.324 8.324 8.722 -0.398 19751 9814 1 16 . 1 1 48 48 GLY CA C 48 45.340 45.340 45.070 0.270 19751 9815 1 16 . 1 1 49 49 ASP N N 49 120.513 120.513 121.359 -0.846 19751 9816 1 16 . 1 1 49 49 ASP HA H 49 4.619 4.619 5.069 -0.450 19751 9817 1 16 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.400 0.930 19751 9818 1 16 . 1 1 49 49 ASP CB C 49 41.163 41.163 43.446 -2.283 19751 9819 1 16 . 1 1 49 49 ASP H H 49 8.225 8.225 8.942 -0.717 19751 9820 1 16 . 1 1 50 50 VAL N N 50 119.718 119.718 121.849 -2.131 19751 9821 1 16 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.307 -0.235 19751 9822 1 16 . 1 1 50 50 VAL CA C 50 62.402 62.402 62.203 0.199 19751 9823 1 16 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.268 -0.474 19751 9824 1 16 . 1 1 50 50 VAL H H 50 8.024 8.024 8.305 -0.281 19751 9825 1 16 . 1 1 51 51 LEU N N 51 125.249 125.249 129.214 -3.965 19751 9826 1 16 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.849 -0.503 19751 9827 1 16 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.460 -0.090 19751 9828 1 16 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.726 -1.347 19751 9829 1 16 . 1 1 51 51 LEU H H 51 8.305 8.305 8.374 -0.069 19751 9830 1 16 . 1 1 52 52 MET HA H 52 4.458 4.458 4.560 -0.102 19751 9831 1 16 . 1 1 52 52 MET CA C 52 55.417 55.417 55.460 -0.043 19751 9832 1 16 . 1 1 52 52 MET CB C 52 32.264 32.264 33.775 -1.511 19751 9833 1 16 . 1 1 53 53 GLN N N 53 121.447 121.447 121.879 -0.432 19751 9834 1 16 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.105 -0.798 19751 9835 1 16 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.931 0.283 19751 9836 1 16 . 1 1 53 53 GLN CB C 53 29.697 29.697 31.650 -1.953 19751 9837 1 16 . 1 1 53 53 GLN H H 53 8.373 8.373 9.124 -0.751 19751 9838 1 16 . 1 1 54 54 GLY N N 54 110.484 110.484 108.618 1.866 19751 9839 1 16 . 1 1 54 54 GLY CA C 54 45.250 45.250 44.920 0.330 19751 9840 1 16 . 1 1 54 54 GLY H H 54 8.456 8.456 8.917 -0.461 19751 9841 1 16 . 1 1 55 55 ALA N N 55 123.673 123.673 123.925 -0.252 19751 9842 1 16 . 1 1 55 55 ALA HA H 55 4.307 4.307 5.472 -1.165 19751 9843 1 16 . 1 1 55 55 ALA C C 55 177.397 177.397 177.421 -0.024 19751 9844 1 16 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.662 -0.045 19751 9845 1 16 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.284 -0.976 19751 9846 1 16 . 1 1 55 55 ALA H H 55 8.113 8.113 10.624 -2.511 19751 9847 1 16 . 1 1 56 56 ALA N N 56 123.295 123.295 124.854 -1.559 19751 9848 1 16 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.271 -0.968 19751 9849 1 16 . 1 1 56 56 ALA C C 56 177.446 177.446 176.038 1.408 19751 9850 1 16 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.916 0.517 19751 9851 1 16 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.474 -1.166 19751 9852 1 16 . 1 1 56 56 ALA H H 56 8.297 8.297 9.356 -1.059 19751 9853 1 16 . 1 1 57 57 SER N N 57 116.534 116.534 115.571 0.963 19751 9854 1 16 . 1 1 57 57 SER HA H 57 4.737 4.737 4.641 0.096 19751 9855 1 16 . 1 1 57 57 SER CA C 57 56.332 56.332 57.511 -1.179 19751 9856 1 16 . 1 1 57 57 SER CB C 57 63.567 63.567 62.793 0.774 19751 9857 1 16 . 1 1 57 57 SER H H 57 8.258 8.258 8.753 -0.495 19751 9858 1 16 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.807 -0.405 19751 9859 1 16 . 1 1 58 58 PRO C C 58 176.874 176.874 175.934 0.940 19751 9860 1 16 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.272 0.085 19751 9861 1 16 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.590 -0.555 19751 9862 1 16 . 1 1 59 59 GLU N N 59 120.545 120.545 117.503 3.042 19751 9863 1 16 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.796 -0.560 19751 9864 1 16 . 1 1 59 59 GLU C C 59 176.383 176.383 174.454 1.929 19751 9865 1 16 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.699 0.876 19751 9866 1 16 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.401 -1.298 19751 9867 1 16 . 1 1 59 59 GLU H H 59 8.556 8.556 8.663 -0.107 19751 9868 1 16 . 1 1 60 60 LEU N N 60 122.946 122.946 121.191 1.755 19751 9869 1 16 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.698 -0.254 19751 9870 1 16 . 1 1 60 60 LEU C C 60 177.201 177.201 174.491 2.710 19751 9871 1 16 . 1 1 60 60 LEU CA C 60 55.120 55.120 55.001 0.119 19751 9872 1 16 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.476 -1.188 19751 9873 1 16 . 1 1 60 60 LEU H H 60 8.205 8.205 8.314 -0.109 19751 9874 1 16 . 1 1 61 61 THR N N 61 115.168 115.168 117.749 -2.581 19751 9875 1 16 . 1 1 61 61 THR HA H 61 4.380 4.380 4.552 -0.172 19751 9876 1 16 . 1 1 61 61 THR C C 61 174.201 174.201 172.481 1.720 19751 9877 1 16 . 1 1 61 61 THR CA C 61 61.792 61.792 62.557 -0.765 19751 9878 1 16 . 1 1 61 61 THR CB C 61 69.770 69.770 69.205 0.565 19751 9879 1 16 . 1 1 61 61 THR H H 61 8.149 8.149 8.149 -0.000 19751 9880 1 16 . 1 1 62 62 VAL N N 62 121.650 121.650 122.964 -1.314 19751 9881 1 16 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.713 -0.394 19751 9882 1 16 . 1 1 62 62 VAL C C 62 175.921 175.921 173.476 2.445 19751 9883 1 16 . 1 1 62 62 VAL CA C 62 61.709 61.709 59.481 2.228 19751 9884 1 16 . 1 1 62 62 VAL CB C 62 33.355 33.355 35.777 -2.422 19751 9885 1 16 . 1 1 62 62 VAL H H 62 8.091 8.091 8.114 -0.023 19751 9886 1 16 . 1 1 63 63 SER N N 63 120.076 120.076 114.312 5.764 19751 9887 1 16 . 1 1 63 63 SER HA H 63 4.542 4.542 4.667 -0.125 19751 9888 1 16 . 1 1 63 63 SER C C 63 174.254 174.254 173.252 1.002 19751 9889 1 16 . 1 1 63 63 SER CA C 63 58.375 58.375 58.016 0.359 19751 9890 1 16 . 1 1 63 63 SER CB C 63 64.196 64.196 64.968 -0.772 19751 9891 1 16 . 1 1 63 63 SER H H 63 8.524 8.524 8.294 0.230 19751 9892 1 16 . 1 1 64 64 GLY N N 64 109.912 109.912 109.357 0.555 19751 9893 1 16 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.886 -0.502 19751 9894 1 16 . 1 1 64 64 GLY H H 64 8.255 8.255 8.568 -0.313 19751 9895 1 16 . 1 1 65 65 THR N N 65 114.200 114.200 115.453 -1.253 19751 9896 1 16 . 1 1 65 65 THR HA H 65 4.929 4.929 5.016 -0.087 19751 9897 1 16 . 1 1 65 65 THR CA C 65 60.826 60.826 61.693 -0.867 19751 9898 1 16 . 1 1 65 65 THR CB C 65 71.805 71.805 72.257 -0.452 19751 9899 1 16 . 1 1 65 65 THR H H 65 8.468 8.468 8.277 0.191 19751 9900 1 16 . 1 1 66 66 LEU N N 66 122.673 122.673 122.593 0.080 19751 9901 1 16 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.796 0.125 19751 9902 1 16 . 1 1 66 66 LEU C C 66 174.364 174.364 174.243 0.121 19751 9903 1 16 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.477 -1.067 19751 9904 1 16 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.980 -1.530 19751 9905 1 16 . 1 1 66 66 LEU H H 66 9.054 9.054 8.900 0.154 19751 9906 1 16 . 1 1 67 67 LEU N N 67 124.219 124.219 126.449 -2.230 19751 9907 1 16 . 1 1 67 67 LEU HA H 67 5.208 5.208 5.021 0.187 19751 9908 1 16 . 1 1 67 67 LEU C C 67 177.107 177.107 175.651 1.456 19751 9909 1 16 . 1 1 67 67 LEU CA C 67 53.773 53.773 53.917 -0.144 19751 9910 1 16 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.760 0.447 19751 9911 1 16 . 1 1 67 67 LEU H H 67 8.927 8.927 8.992 -0.065 19751 9912 1 16 . 1 1 68 68 VAL N N 68 121.113 121.113 124.789 -3.676 19751 9913 1 16 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.337 0.519 19751 9914 1 16 . 1 1 68 68 VAL C C 68 174.079 174.079 174.381 -0.302 19751 9915 1 16 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.652 0.206 19751 9916 1 16 . 1 1 68 68 VAL CB C 68 35.015 35.015 35.133 -0.118 19751 9917 1 16 . 1 1 68 68 VAL H H 68 9.345 9.345 8.823 0.522 19751 9918 1 16 . 1 1 69 69 GLU N N 69 127.682 127.682 130.948 -3.266 19751 9919 1 16 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.497 0.402 19751 9920 1 16 . 1 1 69 69 GLU C C 69 173.485 173.485 174.882 -1.397 19751 9921 1 16 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.104 -0.757 19751 9922 1 16 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.076 0.895 19751 9923 1 16 . 1 1 69 69 GLU H H 69 8.110 8.110 8.446 -0.336 19751 9924 1 16 . 1 1 70 70 ALA N N 70 130.042 130.042 128.299 1.743 19751 9925 1 16 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.609 -0.045 19751 9926 1 16 . 1 1 70 70 ALA C C 70 174.853 174.853 175.707 -0.854 19751 9927 1 16 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.476 0.228 19751 9928 1 16 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.163 0.268 19751 9929 1 16 . 1 1 70 70 ALA H H 70 7.991 7.991 7.758 0.233 19751 9930 1 16 . 1 1 71 71 ASP N N 71 117.021 117.021 119.364 -2.343 19751 9931 1 16 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.792 -0.212 19751 9932 1 16 . 1 1 71 71 ASP C C 71 175.160 175.160 176.915 -1.755 19751 9933 1 16 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.238 -0.195 19751 9934 1 16 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.166 -1.244 19751 9935 1 16 . 1 1 71 71 ASP H H 71 8.025 8.025 8.449 -0.424 19751 9936 1 16 . 1 1 72 72 ASP N N 72 119.867 119.867 119.937 -0.070 19751 9937 1 16 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.590 0.533 19751 9938 1 16 . 1 1 72 72 ASP C C 72 177.598 177.598 177.540 0.058 19751 9939 1 16 . 1 1 72 72 ASP CA C 72 58.457 58.457 56.984 1.473 19751 9940 1 16 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.359 -0.370 19751 9941 1 16 . 1 1 72 72 ASP H H 72 8.644 8.644 8.739 -0.095 19751 9942 1 16 . 1 1 73 73 ALA N N 73 120.735 120.735 120.510 0.225 19751 9943 1 16 . 1 1 73 73 ALA HA H 73 3.952 3.952 3.994 -0.042 19751 9944 1 16 . 1 1 73 73 ALA C C 73 181.711 181.711 179.755 1.956 19751 9945 1 16 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.703 0.654 19751 9946 1 16 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.304 -0.483 19751 9947 1 16 . 1 1 73 73 ALA H H 73 8.212 8.212 8.429 -0.217 19751 9948 1 16 . 1 1 74 74 SER N N 74 116.971 116.971 114.054 2.917 19751 9949 1 16 . 1 1 74 74 SER HA H 74 4.207 4.207 4.177 0.030 19751 9950 1 16 . 1 1 74 74 SER C C 74 176.918 176.918 176.048 0.870 19751 9951 1 16 . 1 1 74 74 SER CA C 74 61.632 61.632 60.352 1.280 19751 9952 1 16 . 1 1 74 74 SER CB C 74 62.233 62.233 62.960 -0.727 19751 9953 1 16 . 1 1 74 74 SER H H 74 8.376 8.376 7.538 0.838 19751 9954 1 16 . 1 1 75 75 ALA N N 75 124.844 124.844 125.535 -0.691 19751 9955 1 16 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.864 -0.042 19751 9956 1 16 . 1 1 75 75 ALA C C 75 179.160 179.160 179.068 0.092 19751 9957 1 16 . 1 1 75 75 ALA CA C 75 55.301 55.301 54.983 0.318 19751 9958 1 16 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.693 0.819 19751 9959 1 16 . 1 1 75 75 ALA H H 75 9.121 9.121 7.073 2.048 19751 9960 1 16 . 1 1 76 76 LYS N N 76 117.821 117.821 118.033 -0.212 19751 9961 1 16 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.980 -0.175 19751 9962 1 16 . 1 1 76 76 LYS C C 76 179.175 179.175 178.666 0.509 19751 9963 1 16 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.292 0.846 19751 9964 1 16 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.811 0.551 19751 9965 1 16 . 1 1 76 76 LYS H H 76 8.306 8.306 7.691 0.615 19751 9966 1 16 . 1 1 77 77 ALA N N 77 122.703 122.703 121.887 0.816 19751 9967 1 16 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.119 0.071 19751 9968 1 16 . 1 1 77 77 ALA C C 77 180.868 180.868 179.819 1.049 19751 9969 1 16 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.663 0.489 19751 9970 1 16 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.269 -0.437 19751 9971 1 16 . 1 1 77 77 ALA H H 77 7.584 7.584 7.394 0.190 19751 9972 1 16 . 1 1 78 78 LEU N N 78 120.574 120.574 118.522 2.052 19751 9973 1 16 . 1 1 78 78 LEU HA H 78 4.036 4.036 3.997 0.039 19751 9974 1 16 . 1 1 78 78 LEU C C 78 178.870 178.870 179.207 -0.337 19751 9975 1 16 . 1 1 78 78 LEU CA C 78 57.888 57.888 57.121 0.767 19751 9976 1 16 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.905 0.574 19751 9977 1 16 . 1 1 78 78 LEU H H 78 8.338 8.338 7.856 0.482 19751 9978 1 16 . 1 1 79 79 ALA N N 79 121.156 121.156 121.482 -0.326 19751 9979 1 16 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.120 -0.225 19751 9980 1 16 . 1 1 79 79 ALA C C 79 179.393 179.393 178.978 0.415 19751 9981 1 16 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.265 0.495 19751 9982 1 16 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.395 -1.139 19751 9983 1 16 . 1 1 79 79 ALA H H 79 8.491 8.491 8.730 -0.239 19751 9984 1 16 . 1 1 80 80 THR N N 80 114.097 114.097 112.294 1.803 19751 9985 1 16 . 1 1 80 80 THR HA H 80 4.048 4.048 4.265 -0.217 19751 9986 1 16 . 1 1 80 80 THR C C 80 177.034 177.034 176.301 0.733 19751 9987 1 16 . 1 1 80 80 THR CA C 80 66.139 66.139 65.626 0.513 19751 9988 1 16 . 1 1 80 80 THR CB C 80 69.243 69.243 68.978 0.265 19751 9989 1 16 . 1 1 80 80 THR H H 80 8.111 8.111 7.702 0.409 19751 9990 1 16 . 1 1 81 81 ARG N N 81 121.321 121.321 120.032 1.289 19751 9991 1 16 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.125 -0.182 19751 9992 1 16 . 1 1 81 81 ARG C C 81 177.546 177.546 178.105 -0.559 19751 9993 1 16 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.492 0.548 19751 9994 1 16 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.306 0.417 19751 9995 1 16 . 1 1 81 81 ARG H H 81 7.893 7.893 7.603 0.290 19751 9996 1 16 . 1 1 82 82 HIS N N 82 113.320 113.320 114.423 -1.103 19751 9997 1 16 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.567 0.142 19751 9998 1 16 . 1 1 82 82 HIS C C 82 174.918 174.918 176.327 -1.409 19751 9999 1 16 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.032 -0.870 19751 10000 1 16 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.396 1.112 19751 10001 1 16 . 1 1 82 82 HIS H H 82 7.684 7.684 7.910 -0.226 19751 10002 1 16 . 1 1 83 83 GLY N N 83 109.763 109.763 106.766 2.997 19751 10003 1 16 . 1 1 83 83 GLY C C 83 174.866 174.866 174.155 0.711 19751 10004 1 16 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.989 2.288 19751 10005 1 16 . 1 1 83 83 GLY H H 83 7.707 7.707 7.719 -0.012 19751 10006 1 16 . 1 1 84 84 LEU N N 84 119.225 119.225 119.290 -0.065 19751 10007 1 16 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.494 0.340 19751 10008 1 16 . 1 1 84 84 LEU C C 84 174.880 174.880 176.412 -1.532 19751 10009 1 16 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.181 -1.312 19751 10010 1 16 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.711 2.372 19751 10011 1 16 . 1 1 84 84 LEU H H 84 8.672 8.672 7.305 1.367 19751 10012 1 16 . 1 1 85 85 ASN N N 85 117.042 117.042 116.967 0.075 19751 10013 1 16 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.878 0.290 19751 10014 1 16 . 1 1 85 85 ASN C C 85 175.212 175.212 174.034 1.178 19751 10015 1 16 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.241 -0.383 19751 10016 1 16 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.983 -0.101 19751 10017 1 16 . 1 1 85 85 ASN H H 85 8.955 8.955 8.397 0.558 19751 10018 1 16 . 1 1 86 86 PHE N N 86 126.957 126.957 127.185 -0.228 19751 10019 1 16 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.482 -0.041 19751 10020 1 16 . 1 1 86 86 PHE C C 86 173.744 173.744 174.932 -1.188 19751 10021 1 16 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.979 0.627 19751 10022 1 16 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.520 0.544 19751 10023 1 16 . 1 1 86 86 PHE H H 86 9.221 9.221 8.977 0.244 19751 10024 1 16 . 1 1 87 87 LYS N N 87 129.305 129.305 127.260 2.045 19751 10025 1 16 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.145 0.206 19751 10026 1 16 . 1 1 87 87 LYS C C 87 175.203 175.203 175.553 -0.350 19751 10027 1 16 . 1 1 87 87 LYS CA C 87 56.697 56.697 57.046 -0.349 19751 10028 1 16 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.859 -0.285 19751 10029 1 16 . 1 1 87 87 LYS H H 87 8.397 8.397 8.607 -0.210 19751 10030 1 16 . 1 1 88 88 GLN N N 88 110.785 110.785 114.534 -3.749 19751 10031 1 16 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.214 0.177 19751 10032 1 16 . 1 1 88 88 GLN C C 88 185.308 185.308 173.624 11.684 19751 10033 1 16 . 1 1 88 88 GLN CA C 88 54.753 54.753 55.290 -0.537 19751 10034 1 16 . 1 1 88 88 GLN H H 88 6.855 6.855 7.553 -0.698 19751 10035 1 16 . 1 1 89 89 SER N N 89 113.927 113.927 115.106 -1.179 19751 10036 1 16 . 1 1 89 89 SER HA H 89 5.298 5.298 5.499 -0.201 19751 10037 1 16 . 1 1 89 89 SER C C 89 173.757 173.757 174.352 -0.595 19751 10038 1 16 . 1 1 89 89 SER CA C 89 56.776 56.776 56.732 0.044 19751 10039 1 16 . 1 1 89 89 SER CB C 89 67.417 67.417 66.224 1.193 19751 10040 1 16 . 1 1 89 89 SER H H 89 8.718 8.718 8.553 0.165 19751 10041 1 16 . 1 1 90 90 SER N N 90 114.246 114.246 117.790 -3.544 19751 10042 1 16 . 1 1 90 90 SER HA H 90 4.597 4.597 4.660 -0.063 19751 10043 1 16 . 1 1 90 90 SER CA C 90 58.356 58.356 58.584 -0.229 19751 10044 1 16 . 1 1 90 90 SER CB C 90 63.952 63.952 63.202 0.750 19751 10045 1 16 . 1 1 90 90 SER H H 90 8.479 8.479 8.795 -0.316 19751 10046 1 16 . 1 1 91 91 GLY N N 91 116.101 116.101 110.695 5.406 19751 10047 1 16 . 1 1 91 91 GLY C C 91 174.853 174.853 174.908 -0.055 19751 10048 1 16 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.147 2.008 19751 10049 1 16 . 1 1 91 91 GLY H H 91 8.490 8.490 7.946 0.544 19751 10050 1 16 . 1 1 92 92 GLY N N 92 107.199 107.199 108.210 -1.011 19751 10051 1 16 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.182 -0.516 19751 10052 1 16 . 1 1 92 92 GLY H H 92 8.914 8.914 8.158 0.756 19751 10053 1 16 . 1 1 93 93 ILE N N 93 118.958 118.958 115.424 3.534 19751 10054 1 16 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.830 -0.092 19751 10055 1 16 . 1 1 93 93 ILE C C 93 175.050 175.050 173.422 1.628 19751 10056 1 16 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.958 -1.423 19751 10057 1 16 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.251 -3.142 19751 10058 1 16 . 1 1 93 93 ILE H H 93 7.540 7.540 7.524 0.016 19751 10059 1 16 . 1 1 94 94 ALA N N 94 131.032 131.032 128.253 2.779 19751 10060 1 16 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.106 -0.378 19751 10061 1 16 . 1 1 94 94 ALA C C 94 174.512 174.512 177.440 -2.928 19751 10062 1 16 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.406 0.032 19751 10063 1 16 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.796 2.016 19751 10064 1 16 . 1 1 94 94 ALA H H 94 9.561 9.561 9.130 0.431 19751 10065 1 16 . 1 1 95 95 LEU N N 95 123.066 123.066 124.567 -1.501 19751 10066 1 16 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.871 0.092 19751 10067 1 16 . 1 1 95 95 LEU C C 95 174.922 174.922 175.999 -1.077 19751 10068 1 16 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.516 -0.001 19751 10069 1 16 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.510 2.695 19751 10070 1 16 . 1 1 95 95 LEU H H 95 8.641 8.641 8.697 -0.056 19751 10071 1 16 . 1 1 96 96 LEU N N 96 124.843 124.843 124.436 0.407 19751 10072 1 16 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.985 0.186 19751 10073 1 16 . 1 1 96 96 LEU C C 96 175.059 175.059 177.092 -2.033 19751 10074 1 16 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.601 -0.962 19751 10075 1 16 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.108 1.161 19751 10076 1 16 . 1 1 96 96 LEU H H 96 9.235 9.235 9.105 0.130 19751 10077 1 16 . 1 1 97 97 GLU N N 97 121.306 121.306 120.628 0.678 19751 10078 1 16 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.606 0.253 19751 10079 1 16 . 1 1 97 97 GLU C C 97 175.343 175.343 175.532 -0.189 19751 10080 1 16 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.780 0.311 19751 10081 1 16 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.811 2.604 19751 10082 1 16 . 1 1 97 97 GLU H H 97 9.113 9.113 8.526 0.587 19751 10083 1 16 . 1 1 98 98 ALA N N 98 126.658 126.658 127.654 -0.996 19751 10084 1 16 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.325 0.449 19751 10085 1 16 . 1 1 98 98 ALA C C 98 176.880 176.880 176.718 0.162 19751 10086 1 16 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.571 -0.975 19751 10087 1 16 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.750 1.633 19751 10088 1 16 . 1 1 98 98 ALA H H 98 8.731 8.731 8.479 0.252 19751 10089 1 16 . 1 1 99 99 LYS N N 99 121.674 121.674 123.434 -1.760 19751 10090 1 16 . 1 1 99 99 LYS H H 99 8.636 8.636 8.177 0.459 19751 10091 1 16 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.339 0.123 19751 10092 1 16 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.458 0.030 19751 10093 1 16 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.854 1.332 19751 10094 1 16 . 1 1 101 101 GLY N N 101 110.695 110.695 114.575 -3.880 19751 10095 1 16 . 1 1 101 101 GLY C C 101 174.676 174.676 174.342 0.334 19751 10096 1 16 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.950 0.233 19751 10097 1 16 . 1 1 101 101 GLY H H 101 8.709 8.709 8.917 -0.208 19751 10098 1 16 . 1 1 102 102 THR N N 102 116.771 116.771 119.163 -2.392 19751 10099 1 16 . 1 1 102 102 THR HA H 102 4.134 4.134 4.379 -0.245 19751 10100 1 16 . 1 1 102 102 THR CA C 102 62.998 62.998 62.712 0.286 19751 10101 1 16 . 1 1 102 102 THR CB C 102 69.736 69.736 69.485 0.251 19751 10102 1 16 . 1 1 102 102 THR H H 102 7.652 7.652 7.567 0.085 19751 10103 1 16 . 1 1 103 103 ASP N N 103 125.950 125.950 129.055 -3.105 19751 10104 1 16 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.686 0.018 19751 10105 1 16 . 1 1 103 103 ASP C C 103 175.907 175.907 177.140 -1.233 19751 10106 1 16 . 1 1 103 103 ASP CA C 103 52.747 52.747 54.244 -1.497 19751 10107 1 16 . 1 1 103 103 ASP CB C 103 39.987 39.987 38.965 1.022 19751 10108 1 16 . 1 1 103 103 ASP H H 103 8.849 8.849 8.846 0.003 19751 10109 1 16 . 1 1 104 104 LEU N N 104 127.195 127.195 119.603 7.592 19751 10110 1 16 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.847 0.024 19751 10111 1 16 . 1 1 104 104 LEU C C 104 178.528 178.528 177.920 0.608 19751 10112 1 16 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.305 -0.877 19751 10113 1 16 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.319 0.862 19751 10114 1 16 . 1 1 104 104 LEU H H 104 8.464 8.464 7.834 0.630 19751 10115 1 16 . 1 1 105 105 ASN N N 105 116.748 116.748 117.249 -0.501 19751 10116 1 16 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.325 0.012 19751 10117 1 16 . 1 1 105 105 ASN C C 105 177.999 177.999 177.251 0.748 19751 10118 1 16 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.725 -0.183 19751 10119 1 16 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.545 0.680 19751 10120 1 16 . 1 1 105 105 ASN H H 105 8.225 8.225 8.437 -0.212 19751 10121 1 16 . 1 1 106 106 ALA N N 106 123.704 123.704 121.578 2.126 19751 10122 1 16 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.138 -0.052 19751 10123 1 16 . 1 1 106 106 ALA C C 106 181.021 181.021 178.688 2.333 19751 10124 1 16 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.280 0.604 19751 10125 1 16 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.469 -0.486 19751 10126 1 16 . 1 1 106 106 ALA H H 106 7.810 7.810 7.496 0.314 19751 10127 1 16 . 1 1 107 107 ILE N N 107 118.676 118.676 119.130 -0.454 19751 10128 1 16 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.529 0.125 19751 10129 1 16 . 1 1 107 107 ILE C C 107 177.324 177.324 178.122 -0.798 19751 10130 1 16 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.169 -0.334 19751 10131 1 16 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.415 0.192 19751 10132 1 16 . 1 1 107 107 ILE H H 107 7.582 7.582 7.073 0.509 19751 10133 1 16 . 1 1 108 108 ALA N N 108 122.550 122.550 121.733 0.817 19751 10134 1 16 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.912 -0.111 19751 10135 1 16 . 1 1 108 108 ALA CA C 108 56.078 56.078 54.923 1.155 19751 10136 1 16 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.923 0.014 19751 10137 1 16 . 1 1 108 108 ALA H H 108 8.551 8.551 7.779 0.772 19751 10138 1 16 . 1 1 109 109 THR N N 109 113.975 113.975 113.171 0.804 19751 10139 1 16 . 1 1 109 109 THR HA H 109 3.806 3.806 4.060 -0.254 19751 10140 1 16 . 1 1 109 109 THR C C 109 176.632 176.632 176.293 0.339 19751 10141 1 16 . 1 1 109 109 THR CA C 109 67.362 67.362 66.364 0.998 19751 10142 1 16 . 1 1 109 109 THR CB C 109 68.554 68.554 68.503 0.051 19751 10143 1 16 . 1 1 109 109 THR H H 109 8.197 8.197 7.649 0.548 19751 10144 1 16 . 1 1 110 110 LYS N N 110 123.603 123.603 120.828 2.775 19751 10145 1 16 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.236 -0.159 19751 10146 1 16 . 1 1 110 110 LYS C C 110 179.640 179.640 177.777 1.863 19751 10147 1 16 . 1 1 110 110 LYS CA C 110 59.365 59.365 58.534 0.831 19751 10148 1 16 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.518 -0.447 19751 10149 1 16 . 1 1 110 110 LYS H H 110 7.656 7.656 7.850 -0.194 19751 10150 1 16 . 1 1 111 111 LEU N N 111 120.492 120.492 119.591 0.901 19751 10151 1 16 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.193 -0.336 19751 10152 1 16 . 1 1 111 111 LEU C C 111 179.289 179.289 178.858 0.431 19751 10153 1 16 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.618 0.497 19751 10154 1 16 . 1 1 111 111 LEU CB C 111 41.115 41.115 42.032 -0.917 19751 10155 1 16 . 1 1 111 111 LEU H H 111 8.441 8.441 7.439 1.002 19751 10156 1 16 . 1 1 112 112 LYS N N 112 120.305 120.305 118.327 1.978 19751 10157 1 16 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.225 0.216 19751 10158 1 16 . 1 1 112 112 LYS C C 112 181.574 181.574 178.776 2.798 19751 10159 1 16 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.910 0.702 19751 10160 1 16 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.999 0.294 19751 10161 1 16 . 1 1 112 112 LYS H H 112 8.452 8.452 8.083 0.369 19751 10162 1 16 . 1 1 113 113 SER N N 113 116.992 116.992 113.754 3.238 19751 10163 1 16 . 1 1 113 113 SER HA H 113 4.389 4.389 4.256 0.133 19751 10164 1 16 . 1 1 113 113 SER C C 113 175.200 175.200 175.904 -0.704 19751 10165 1 16 . 1 1 113 113 SER CA C 113 61.260 61.260 60.585 0.675 19751 10166 1 16 . 1 1 113 113 SER CB C 113 62.863 62.863 63.065 -0.202 19751 10167 1 16 . 1 1 113 113 SER H H 113 7.995 7.995 7.819 0.176 19751 10168 1 16 . 1 1 114 114 GLU N N 114 120.677 120.677 118.528 2.149 19751 10169 1 16 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.379 0.052 19751 10170 1 16 . 1 1 114 114 GLU C C 114 176.506 176.506 177.002 -0.496 19751 10171 1 16 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.521 -0.209 19751 10172 1 16 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.885 -1.488 19751 10173 1 16 . 1 1 114 114 GLU H H 114 7.577 7.577 7.909 -0.332 19751 10174 1 16 . 1 1 115 115 GLY N N 115 107.383 107.383 107.781 -0.398 19751 10175 1 16 . 1 1 115 115 GLY C C 115 174.019 174.019 173.525 0.494 19751 10176 1 16 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.770 0.728 19751 10177 1 16 . 1 1 115 115 GLY H H 115 7.947 7.947 7.710 0.237 19751 10178 1 16 . 1 1 116 116 VAL N N 116 121.389 121.389 120.907 0.482 19751 10179 1 16 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.253 -0.121 19751 10180 1 16 . 1 1 116 116 VAL C C 116 175.092 175.092 175.145 -0.053 19751 10181 1 16 . 1 1 116 116 VAL CA C 116 61.077 61.077 59.597 1.480 19751 10182 1 16 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.276 0.767 19751 10183 1 16 . 1 1 116 116 VAL H H 116 7.704 7.704 7.434 0.270 19751 10184 1 16 . 1 1 117 117 ASN N N 117 125.670 125.670 126.898 -1.228 19751 10185 1 16 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.832 -0.038 19751 10186 1 16 . 1 1 117 117 ASN C C 117 173.847 173.847 173.993 -0.146 19751 10187 1 16 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.389 -0.185 19751 10188 1 16 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.836 -0.835 19751 10189 1 16 . 1 1 117 117 ASN H H 117 9.161 9.161 8.818 0.343 19751 10190 1 16 . 1 1 118 118 VAL N N 118 121.648 121.648 120.028 1.620 19751 10191 1 16 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.132 0.141 19751 10192 1 16 . 1 1 118 118 VAL C C 118 173.553 173.553 173.960 -0.407 19751 10193 1 16 . 1 1 118 118 VAL CA C 118 58.505 58.505 58.719 -0.214 19751 10194 1 16 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.300 -0.211 19751 10195 1 16 . 1 1 118 118 VAL H H 118 7.811 7.811 7.776 0.035 19751 10196 1 16 . 1 1 119 119 GLN N N 119 124.298 124.298 119.925 4.373 19751 10197 1 16 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.703 -0.050 19751 10198 1 16 . 1 1 119 119 GLN C C 119 174.263 174.263 174.357 -0.094 19751 10199 1 16 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.028 0.215 19751 10200 1 16 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.175 0.351 19751 10201 1 16 . 1 1 119 119 GLN H H 119 8.746 8.746 8.172 0.574 19751 10202 1 16 . 1 1 120 120 ILE N N 120 122.997 122.997 127.351 -4.354 19751 10203 1 16 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.232 0.216 19751 10204 1 16 . 1 1 120 120 ILE C C 120 175.616 175.616 175.777 -0.161 19751 10205 1 16 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.075 0.882 19751 10206 1 16 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.143 3.787 19751 10207 1 16 . 1 1 120 120 ILE H H 120 8.670 8.670 8.637 0.033 19751 10208 1 16 . 1 1 121 121 GLU N N 121 128.460 128.460 128.184 0.276 19751 10209 1 16 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.550 -0.055 19751 10210 1 16 . 1 1 121 121 GLU C C 121 175.490 175.490 174.200 1.290 19751 10211 1 16 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.447 1.202 19751 10212 1 16 . 1 1 121 121 GLU CB C 121 31.190 31.190 33.292 -2.102 19751 10213 1 16 . 1 1 121 121 GLU H H 121 8.641 8.641 8.454 0.187 19751 10214 1 16 . 1 1 122 122 LEU N N 122 126.756 126.756 119.833 6.923 19751 10215 1 16 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.663 -0.084 19751 10216 1 16 . 1 1 122 122 LEU C C 122 177.291 177.291 176.159 1.132 19751 10217 1 16 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.572 0.940 19751 10218 1 16 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.218 -1.796 19751 10219 1 16 . 1 1 122 122 LEU H H 122 8.642 8.642 8.485 0.157 19751 10220 1 16 . 1 1 123 123 SER N N 123 117.273 117.273 115.620 1.653 19751 10221 1 16 . 1 1 123 123 SER HA H 123 4.430 4.430 4.610 -0.180 19751 10222 1 16 . 1 1 123 123 SER C C 123 175.066 175.066 174.121 0.945 19751 10223 1 16 . 1 1 123 123 SER CA C 123 58.499 58.499 57.947 0.552 19751 10224 1 16 . 1 1 123 123 SER CB C 123 63.946 63.946 63.214 0.732 19751 10225 1 16 . 1 1 123 123 SER H H 123 8.496 8.496 8.945 -0.449 19751 10226 1 16 . 1 1 124 124 GLY N N 124 111.280 111.280 108.003 3.277 19751 10227 1 16 . 1 1 124 124 GLY C C 124 174.099 174.099 174.037 0.062 19751 10228 1 16 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.060 -0.681 19751 10229 1 16 . 1 1 124 124 GLY H H 124 8.566 8.566 8.144 0.422 19751 10230 1 16 . 1 1 125 125 ALA N N 125 123.586 123.586 123.193 0.393 19751 10231 1 16 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.086 0.221 19751 10232 1 16 . 1 1 125 125 ALA C C 125 177.915 177.915 177.853 0.062 19751 10233 1 16 . 1 1 125 125 ALA CA C 125 52.617 52.617 53.989 -1.372 19751 10234 1 16 . 1 1 125 125 ALA CB C 125 19.308 19.308 18.502 0.806 19751 10235 1 16 . 1 1 125 125 ALA H H 125 8.158 8.158 8.309 -0.151 19751 10236 1 16 . 1 1 126 126 GLU N N 126 120.076 120.076 118.345 1.731 19751 10237 1 16 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.350 0.001 19751 10238 1 16 . 1 1 126 126 GLU C C 126 176.544 176.544 175.654 0.890 19751 10239 1 16 . 1 1 126 126 GLU CA C 126 56.883 56.883 56.132 0.751 19751 10240 1 16 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.619 -0.009 19751 10241 1 16 . 1 1 126 126 GLU H H 126 8.524 8.524 8.266 0.258 19751 10242 1 16 . 1 1 127 127 GLN N N 127 121.453 121.453 119.830 1.623 19751 10243 1 16 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.493 -0.186 19751 10244 1 16 . 1 1 127 127 GLN C C 127 175.691 175.691 175.728 -0.037 19751 10245 1 16 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.041 0.539 19751 10246 1 16 . 1 1 127 127 GLN CB C 127 29.703 29.703 30.397 -0.694 19751 10247 1 16 . 1 1 127 127 GLN H H 127 8.356 8.356 8.277 0.079 19751 10248 1 16 . 1 1 128 128 GLN N N 128 122.570 122.570 121.805 0.765 19751 10249 1 16 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.450 0.135 19751 10250 1 16 . 1 1 128 128 GLN CA C 128 53.744 53.744 54.766 -1.022 19751 10251 1 16 . 1 1 128 128 GLN CB C 128 28.864 28.864 28.780 0.083 19751 10252 1 16 . 1 1 128 128 GLN H H 128 8.348 8.348 8.405 -0.057 19751 10253 1 16 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.527 -0.126 19751 10254 1 16 . 1 1 129 129 PRO C C 129 175.988 175.988 177.108 -1.120 19751 10255 1 16 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.436 1.013 19751 10256 1 16 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.462 -0.505 19751 10257 1 17 . 1 1 2 2 GLU N N 2 122.196 122.196 120.091 2.105 19751 10258 1 17 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.139 0.096 19751 10259 1 17 . 1 1 2 2 GLU C C 2 175.712 175.712 175.202 0.510 19751 10260 1 17 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.767 -0.134 19751 10261 1 17 . 1 1 2 2 GLU CB C 2 29.971 29.971 28.047 1.924 19751 10262 1 17 . 1 1 2 2 GLU H H 2 8.617 8.617 8.527 0.090 19751 10263 1 17 . 1 1 3 3 SER N N 3 116.623 116.623 114.616 2.007 19751 10264 1 17 . 1 1 3 3 SER HA H 3 4.597 4.597 4.443 0.154 19751 10265 1 17 . 1 1 3 3 SER C C 3 174.294 174.294 174.235 0.059 19751 10266 1 17 . 1 1 3 3 SER CA C 3 58.386 58.386 57.883 0.503 19751 10267 1 17 . 1 1 3 3 SER CB C 3 64.039 64.039 63.633 0.406 19751 10268 1 17 . 1 1 3 3 SER H H 3 8.305 8.305 8.112 0.193 19751 10269 1 17 . 1 1 4 4 VAL N N 4 121.759 121.759 124.793 -3.034 19751 10270 1 17 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.414 -0.105 19751 10271 1 17 . 1 1 4 4 VAL C C 4 176.177 176.177 175.136 1.041 19751 10272 1 17 . 1 1 4 4 VAL CA C 4 61.709 61.709 61.678 0.031 19751 10273 1 17 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.516 -0.161 19751 10274 1 17 . 1 1 4 4 VAL H H 4 8.303 8.303 8.485 -0.182 19751 10275 1 17 . 1 1 5 5 THR N N 5 118.335 118.335 120.797 -2.462 19751 10276 1 17 . 1 1 5 5 THR HA H 5 4.592 4.592 4.755 -0.163 19751 10277 1 17 . 1 1 5 5 THR C C 5 173.579 173.579 173.584 -0.005 19751 10278 1 17 . 1 1 5 5 THR CA C 5 62.022 62.022 61.159 0.863 19751 10279 1 17 . 1 1 5 5 THR CB C 5 70.047 70.047 70.276 -0.229 19751 10280 1 17 . 1 1 5 5 THR H H 5 8.319 8.319 8.261 0.058 19751 10281 1 17 . 1 1 6 6 MET N N 6 123.858 123.858 120.367 3.491 19751 10282 1 17 . 1 1 6 6 MET CA C 6 57.260 57.260 55.350 1.910 19751 10283 1 17 . 1 1 6 6 MET CB C 6 33.780 33.780 34.034 -0.254 19751 10284 1 17 . 1 1 6 6 MET H H 6 8.035 8.035 8.281 -0.246 19751 10285 1 17 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.880 -0.383 19751 10286 1 17 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.142 1.008 19751 10287 1 17 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.100 -0.836 19751 10288 1 17 . 1 1 8 8 GLY N N 8 114.130 114.130 110.099 4.031 19751 10289 1 17 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.335 1.278 19751 10290 1 17 . 1 1 8 8 GLY H H 8 8.386 8.386 8.471 -0.085 19751 10291 1 17 . 1 1 9 9 LYS N N 9 120.803 120.803 120.817 -0.014 19751 10292 1 17 . 1 1 9 9 LYS HA H 9 4.344 4.344 5.102 -0.758 19751 10293 1 17 . 1 1 9 9 LYS H H 9 8.021 8.021 8.931 -0.911 19751 10294 1 17 . 1 1 10 10 GLN N N 10 120.522 120.522 118.785 1.737 19751 10295 1 17 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.683 -0.216 19751 10296 1 17 . 1 1 10 10 GLN CA C 10 55.281 55.281 54.909 0.372 19751 10297 1 17 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.067 0.343 19751 10298 1 17 . 1 1 10 10 GLN H H 10 8.246 8.246 8.744 -0.498 19751 10299 1 17 . 1 1 11 11 TYR N N 11 121.213 121.213 119.608 1.605 19751 10300 1 17 . 1 1 11 11 TYR HA H 11 4.299 4.299 5.424 -1.125 19751 10301 1 17 . 1 1 11 11 TYR CA C 11 56.949 56.949 56.206 0.743 19751 10302 1 17 . 1 1 11 11 TYR CB C 11 43.274 43.274 41.096 2.178 19751 10303 1 17 . 1 1 11 11 TYR H H 11 8.873 8.873 8.637 0.236 19751 10304 1 17 . 1 1 12 12 SER N N 12 117.406 117.406 116.140 1.266 19751 10305 1 17 . 1 1 12 12 SER HA H 12 4.715 4.715 4.665 0.050 19751 10306 1 17 . 1 1 12 12 SER CA C 12 57.374 57.374 57.526 -0.152 19751 10307 1 17 . 1 1 12 12 SER CB C 12 63.946 63.946 64.606 -0.660 19751 10308 1 17 . 1 1 12 12 SER H H 12 9.047 9.047 8.949 0.098 19751 10309 1 17 . 1 1 13 13 THR N N 13 112.091 112.091 117.148 -5.057 19751 10310 1 17 . 1 1 13 13 THR HA H 13 4.929 4.929 4.673 0.256 19751 10311 1 17 . 1 1 13 13 THR CA C 13 60.716 60.716 61.579 -0.863 19751 10312 1 17 . 1 1 13 13 THR CB C 13 71.808 71.808 69.406 2.402 19751 10313 1 17 . 1 1 13 13 THR H H 13 8.235 8.235 8.194 0.041 19751 10314 1 17 . 1 1 14 14 ILE N N 14 120.891 120.891 117.842 3.049 19751 10315 1 17 . 1 1 14 14 ILE H H 14 9.108 9.108 8.038 1.070 19751 10316 1 17 . 1 1 15 15 GLU N N 15 127.598 127.598 124.049 3.549 19751 10317 1 17 . 1 1 15 15 GLU H H 15 8.300 8.300 8.451 -0.151 19751 10318 1 17 . 1 1 16 16 VAL N N 16 126.224 126.224 119.039 7.185 19751 10319 1 17 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.469 -0.185 19751 10320 1 17 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.462 0.372 19751 10321 1 17 . 1 1 16 16 VAL CB C 16 34.896 34.896 32.628 2.268 19751 10322 1 17 . 1 1 16 16 VAL H H 16 9.320 9.320 8.589 0.731 19751 10323 1 17 . 1 1 17 17 ASN N N 17 123.394 123.394 125.300 -1.906 19751 10324 1 17 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.377 0.787 19751 10325 1 17 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.903 -0.354 19751 10326 1 17 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.461 -0.246 19751 10327 1 17 . 1 1 17 17 ASN H H 17 9.310 9.310 9.412 -0.102 19751 10328 1 17 . 1 1 18 18 GLY H H 18 9.024 9.024 8.611 0.413 19751 10329 1 17 . 1 1 19 19 GLN N N 19 119.994 119.994 118.573 1.421 19751 10330 1 17 . 1 1 19 19 GLN H H 19 7.990 7.990 7.686 0.304 19751 10331 1 17 . 1 1 20 20 THR N N 20 117.472 117.472 120.077 -2.605 19751 10332 1 17 . 1 1 20 20 THR HA H 20 4.384 4.384 4.514 -0.130 19751 10333 1 17 . 1 1 20 20 THR CA C 20 63.334 63.334 61.675 1.659 19751 10334 1 17 . 1 1 20 20 THR CB C 20 69.401 69.401 69.419 -0.018 19751 10335 1 17 . 1 1 20 20 THR H H 20 8.401 8.401 8.360 0.041 19751 10336 1 17 . 1 1 21 21 TYR N N 21 126.847 126.847 124.099 2.748 19751 10337 1 17 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.740 -0.578 19751 10338 1 17 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.059 0.429 19751 10339 1 17 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.016 4.314 19751 10340 1 17 . 1 1 21 21 TYR H H 21 9.367 9.367 7.906 1.461 19751 10341 1 17 . 1 1 22 22 LEU N N 22 118.537 118.537 120.663 -2.126 19751 10342 1 17 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.929 -0.737 19751 10343 1 17 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.416 2.506 19751 10344 1 17 . 1 1 22 22 LEU CB C 22 43.212 43.212 44.149 -0.937 19751 10345 1 17 . 1 1 22 22 LEU H H 22 9.060 9.060 8.419 0.641 19751 10346 1 17 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.566 -0.175 19751 10347 1 17 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.784 0.550 19751 10348 1 17 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.259 -0.119 19751 10349 1 17 . 1 1 25 25 ASP N N 25 121.554 121.554 122.417 -0.863 19751 10350 1 17 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.815 -0.223 19751 10351 1 17 . 1 1 25 25 ASP CA C 25 54.308 54.308 54.012 0.296 19751 10352 1 17 . 1 1 25 25 ASP CB C 25 41.087 41.087 42.254 -1.167 19751 10353 1 17 . 1 1 25 25 ASP H H 25 8.324 8.324 8.498 -0.174 19751 10354 1 17 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.807 -0.068 19751 10355 1 17 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.528 -0.872 19751 10356 1 17 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.783 -0.651 19751 10357 1 17 . 1 1 27 27 GLY N N 27 109.206 109.206 110.859 -1.653 19751 10358 1 17 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.286 1.127 19751 10359 1 17 . 1 1 27 27 GLY H H 27 8.494 8.494 8.844 -0.350 19751 10360 1 17 . 1 1 28 28 SER N N 28 116.238 116.238 116.632 -0.394 19751 10361 1 17 . 1 1 28 28 SER HA H 28 4.384 4.384 5.072 -0.688 19751 10362 1 17 . 1 1 28 28 SER CA C 28 60.226 60.226 57.273 2.953 19751 10363 1 17 . 1 1 28 28 SER CB C 28 63.818 63.818 65.073 -1.256 19751 10364 1 17 . 1 1 28 28 SER H H 28 8.372 8.372 8.882 -0.510 19751 10365 1 17 . 1 1 29 29 LYS N N 29 121.905 121.905 121.926 -0.021 19751 10366 1 17 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.540 -0.208 19751 10367 1 17 . 1 1 29 29 LYS CA C 29 56.353 56.353 55.513 0.840 19751 10368 1 17 . 1 1 29 29 LYS CB C 29 33.347 33.347 34.099 -0.752 19751 10369 1 17 . 1 1 29 29 LYS H H 29 8.027 8.027 8.469 -0.442 19751 10370 1 17 . 1 1 30 30 LYS N N 30 122.663 122.663 123.144 -0.481 19751 10371 1 17 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.494 -0.200 19751 10372 1 17 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.993 0.221 19751 10373 1 17 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.288 -0.117 19751 10374 1 17 . 1 1 30 30 LYS H H 30 8.223 8.223 8.507 -0.284 19751 10375 1 17 . 1 1 31 31 ARG N N 31 123.469 123.469 122.648 0.821 19751 10376 1 17 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.535 -0.180 19751 10377 1 17 . 1 1 31 31 ARG CA C 31 56.295 56.295 56.176 0.119 19751 10378 1 17 . 1 1 31 31 ARG CB C 31 31.854 31.854 30.184 1.670 19751 10379 1 17 . 1 1 31 31 ARG H H 31 8.404 8.404 8.326 0.078 19751 10380 1 17 . 1 1 32 32 VAL N N 32 122.456 122.456 118.818 3.638 19751 10381 1 17 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.294 -0.051 19751 10382 1 17 . 1 1 32 32 VAL CA C 32 62.316 62.316 60.707 1.609 19751 10383 1 17 . 1 1 32 32 VAL CB C 32 32.863 32.863 31.126 1.737 19751 10384 1 17 . 1 1 32 32 VAL H H 32 8.214 8.214 7.708 0.506 19751 10385 1 17 . 1 1 33 33 ALA N N 33 127.685 127.685 126.227 1.458 19751 10386 1 17 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.793 -0.491 19751 10387 1 17 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.639 0.979 19751 10388 1 17 . 1 1 33 33 ALA CB C 33 19.308 19.308 19.584 -0.276 19751 10389 1 17 . 1 1 33 33 ALA H H 33 8.374 8.374 7.999 0.375 19751 10390 1 17 . 1 1 34 34 ARG N N 34 119.922 119.922 122.743 -2.821 19751 10391 1 17 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.489 -0.166 19751 10392 1 17 . 1 1 34 34 ARG CA C 34 56.820 56.820 56.016 0.804 19751 10393 1 17 . 1 1 34 34 ARG CB C 34 30.160 30.160 30.977 -0.817 19751 10394 1 17 . 1 1 34 34 ARG H H 34 8.652 8.652 8.884 -0.232 19751 10395 1 17 . 1 1 35 35 SER N N 35 116.881 116.881 118.112 -1.231 19751 10396 1 17 . 1 1 35 35 SER HA H 35 4.543 4.543 4.582 -0.039 19751 10397 1 17 . 1 1 35 35 SER CA C 35 58.440 58.440 58.328 0.112 19751 10398 1 17 . 1 1 35 35 SER CB C 35 64.094 64.094 64.088 0.006 19751 10399 1 17 . 1 1 35 35 SER H H 35 8.359 8.359 8.562 -0.203 19751 10400 1 17 . 1 1 36 36 LEU N N 36 124.595 124.595 125.037 -0.442 19751 10401 1 17 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.726 -0.353 19751 10402 1 17 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.795 -0.201 19751 10403 1 17 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.020 -0.742 19751 10404 1 17 . 1 1 36 36 LEU H H 36 8.546 8.546 8.190 0.356 19751 10405 1 17 . 1 1 37 37 ASP N N 37 119.422 119.422 124.881 -5.459 19751 10406 1 17 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.026 -0.434 19751 10407 1 17 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.571 0.737 19751 10408 1 17 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.826 -1.644 19751 10409 1 17 . 1 1 37 37 ASP H H 37 8.186 8.186 8.731 -0.545 19751 10410 1 17 . 1 1 38 38 SER N N 38 116.413 116.413 118.353 -1.940 19751 10411 1 17 . 1 1 38 38 SER HA H 38 4.450 4.450 4.626 -0.176 19751 10412 1 17 . 1 1 38 38 SER CA C 38 58.499 58.499 58.739 -0.239 19751 10413 1 17 . 1 1 38 38 SER CB C 38 63.818 63.818 64.039 -0.221 19751 10414 1 17 . 1 1 38 38 SER H H 38 8.177 8.177 8.650 -0.473 19751 10415 1 17 . 1 1 39 39 LYS N N 39 123.095 123.095 121.750 1.345 19751 10416 1 17 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.570 -0.233 19751 10417 1 17 . 1 1 39 39 LYS CA C 39 56.679 56.679 57.014 -0.335 19751 10418 1 17 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.385 -1.153 19751 10419 1 17 . 1 1 39 39 LYS H H 39 8.379 8.379 8.296 0.083 19751 10420 1 17 . 1 1 40 40 VAL N N 40 122.475 122.475 121.467 1.008 19751 10421 1 17 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.284 0.104 19751 10422 1 17 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.254 -1.093 19751 10423 1 17 . 1 1 40 40 VAL CB C 40 32.615 32.615 32.758 -0.143 19751 10424 1 17 . 1 1 40 40 VAL H H 40 8.069 8.069 8.305 -0.236 19751 10425 1 17 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.689 -0.268 19751 10426 1 17 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.164 -0.406 19751 10427 1 17 . 1 1 41 41 PRO CB C 41 32.307 32.307 32.720 -0.413 19751 10428 1 17 . 1 1 42 42 GLN N N 42 121.230 121.230 117.939 3.291 19751 10429 1 17 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.555 -0.276 19751 10430 1 17 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.499 0.529 19751 10431 1 17 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.046 -0.327 19751 10432 1 17 . 1 1 42 42 GLN H H 42 8.482 8.482 8.743 -0.261 19751 10433 1 17 . 1 1 43 43 GLN N N 43 121.831 121.831 123.006 -1.175 19751 10434 1 17 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.815 -0.426 19751 10435 1 17 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.978 -0.054 19751 10436 1 17 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.537 -1.008 19751 10437 1 17 . 1 1 43 43 GLN H H 43 8.506 8.506 8.889 -0.383 19751 10438 1 17 . 1 1 44 44 THR N N 44 116.251 116.251 119.166 -2.915 19751 10439 1 17 . 1 1 44 44 THR HA H 44 4.302 4.302 4.783 -0.481 19751 10440 1 17 . 1 1 44 44 THR CA C 44 61.922 61.922 61.912 0.010 19751 10441 1 17 . 1 1 44 44 THR CB C 44 69.811 69.811 69.750 0.061 19751 10442 1 17 . 1 1 44 44 THR H H 44 8.231 8.231 8.598 -0.367 19751 10443 1 17 . 1 1 45 45 LEU N N 45 125.046 125.046 123.334 1.712 19751 10444 1 17 . 1 1 45 45 LEU HA H 45 4.498 4.498 5.113 -0.615 19751 10445 1 17 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.041 1.066 19751 10446 1 17 . 1 1 45 45 LEU CB C 45 42.812 42.812 44.056 -1.244 19751 10447 1 17 . 1 1 45 45 LEU H H 45 8.257 8.257 8.897 -0.640 19751 10448 1 17 . 1 1 46 46 ARG N N 46 120.522 120.522 120.473 0.049 19751 10449 1 17 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.225 -0.992 19751 10450 1 17 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.169 1.295 19751 10451 1 17 . 1 1 46 46 ARG CB C 46 29.971 29.971 32.495 -2.524 19751 10452 1 17 . 1 1 46 46 ARG H H 46 8.007 8.007 9.122 -1.115 19751 10453 1 17 . 1 1 47 47 ARG N N 47 121.010 121.010 121.342 -0.332 19751 10454 1 17 . 1 1 47 47 ARG H H 47 8.324 8.324 8.800 -0.476 19751 10455 1 17 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.406 0.934 19751 10456 1 17 . 1 1 49 49 ASP N N 49 120.513 120.513 121.572 -1.059 19751 10457 1 17 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.912 -0.293 19751 10458 1 17 . 1 1 49 49 ASP CA C 49 54.330 54.330 54.019 0.311 19751 10459 1 17 . 1 1 49 49 ASP CB C 49 41.163 41.163 41.705 -0.542 19751 10460 1 17 . 1 1 49 49 ASP H H 49 8.225 8.225 8.401 -0.176 19751 10461 1 17 . 1 1 50 50 VAL N N 50 119.718 119.718 122.446 -2.728 19751 10462 1 17 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.329 -0.257 19751 10463 1 17 . 1 1 50 50 VAL CA C 50 62.402 62.402 62.091 0.311 19751 10464 1 17 . 1 1 50 50 VAL CB C 50 32.794 32.794 32.946 -0.152 19751 10465 1 17 . 1 1 50 50 VAL H H 50 8.024 8.024 8.052 -0.028 19751 10466 1 17 . 1 1 51 51 LEU N N 51 125.249 125.249 126.015 -0.766 19751 10467 1 17 . 1 1 51 51 LEU HA H 51 4.346 4.346 5.229 -0.883 19751 10468 1 17 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.271 1.099 19751 10469 1 17 . 1 1 51 51 LEU CB C 51 42.379 42.379 44.576 -2.197 19751 10470 1 17 . 1 1 51 51 LEU H H 51 8.305 8.305 8.689 -0.384 19751 10471 1 17 . 1 1 52 52 MET HA H 52 4.458 4.458 4.699 -0.241 19751 10472 1 17 . 1 1 52 52 MET CA C 52 55.417 55.417 55.912 -0.495 19751 10473 1 17 . 1 1 52 52 MET CB C 52 32.264 32.264 33.685 -1.421 19751 10474 1 17 . 1 1 53 53 GLN N N 53 121.447 121.447 123.826 -2.379 19751 10475 1 17 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.577 -0.270 19751 10476 1 17 . 1 1 53 53 GLN CA C 53 56.214 56.214 56.844 -0.630 19751 10477 1 17 . 1 1 53 53 GLN CB C 53 29.697 29.697 29.696 0.001 19751 10478 1 17 . 1 1 53 53 GLN H H 53 8.373 8.373 8.716 -0.343 19751 10479 1 17 . 1 1 54 54 GLY N N 54 110.484 110.484 112.012 -1.528 19751 10480 1 17 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.033 0.217 19751 10481 1 17 . 1 1 54 54 GLY H H 54 8.456 8.456 8.626 -0.170 19751 10482 1 17 . 1 1 55 55 ALA N N 55 123.673 123.673 125.528 -1.855 19751 10483 1 17 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.488 -0.181 19751 10484 1 17 . 1 1 55 55 ALA C C 55 177.397 177.397 176.672 0.725 19751 10485 1 17 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.273 0.344 19751 10486 1 17 . 1 1 55 55 ALA CB C 55 19.308 19.308 19.947 -0.639 19751 10487 1 17 . 1 1 55 55 ALA H H 55 8.113 8.113 8.151 -0.038 19751 10488 1 17 . 1 1 56 56 ALA N N 56 123.295 123.295 121.474 1.821 19751 10489 1 17 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.007 -0.704 19751 10490 1 17 . 1 1 56 56 ALA C C 56 177.446 177.446 176.407 1.039 19751 10491 1 17 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.197 0.236 19751 10492 1 17 . 1 1 56 56 ALA CB C 56 19.308 19.308 19.683 -0.375 19751 10493 1 17 . 1 1 56 56 ALA H H 56 8.297 8.297 8.252 0.045 19751 10494 1 17 . 1 1 57 57 SER N N 57 116.534 116.534 117.859 -1.325 19751 10495 1 17 . 1 1 57 57 SER HA H 57 4.737 4.737 4.790 -0.053 19751 10496 1 17 . 1 1 57 57 SER CA C 57 56.332 56.332 57.592 -1.260 19751 10497 1 17 . 1 1 57 57 SER CB C 57 63.567 63.567 63.552 0.015 19751 10498 1 17 . 1 1 57 57 SER H H 57 8.258 8.258 8.727 -0.469 19751 10499 1 17 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.718 -0.316 19751 10500 1 17 . 1 1 58 58 PRO C C 58 176.874 176.874 175.495 1.379 19751 10501 1 17 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.074 0.283 19751 10502 1 17 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.349 -0.314 19751 10503 1 17 . 1 1 59 59 GLU N N 59 120.545 120.545 118.915 1.630 19751 10504 1 17 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.521 -0.285 19751 10505 1 17 . 1 1 59 59 GLU C C 59 176.383 176.383 174.361 2.022 19751 10506 1 17 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.800 0.775 19751 10507 1 17 . 1 1 59 59 GLU CB C 59 30.103 30.103 30.547 -0.444 19751 10508 1 17 . 1 1 59 59 GLU H H 59 8.556 8.556 8.347 0.209 19751 10509 1 17 . 1 1 60 60 LEU N N 60 122.946 122.946 119.206 3.740 19751 10510 1 17 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.705 -0.261 19751 10511 1 17 . 1 1 60 60 LEU C C 60 177.201 177.201 174.809 2.392 19751 10512 1 17 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.947 0.173 19751 10513 1 17 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.606 -1.318 19751 10514 1 17 . 1 1 60 60 LEU H H 60 8.205 8.205 8.304 -0.099 19751 10515 1 17 . 1 1 61 61 THR N N 61 115.168 115.168 117.665 -2.497 19751 10516 1 17 . 1 1 61 61 THR HA H 61 4.380 4.380 4.639 -0.259 19751 10517 1 17 . 1 1 61 61 THR C C 61 174.201 174.201 172.421 1.780 19751 10518 1 17 . 1 1 61 61 THR CA C 61 61.792 61.792 62.553 -0.761 19751 10519 1 17 . 1 1 61 61 THR CB C 61 69.770 69.770 70.100 -0.331 19751 10520 1 17 . 1 1 61 61 THR H H 61 8.149 8.149 8.324 -0.175 19751 10521 1 17 . 1 1 62 62 VAL N N 62 121.650 121.650 124.391 -2.741 19751 10522 1 17 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.383 -0.064 19751 10523 1 17 . 1 1 62 62 VAL C C 62 175.921 175.921 173.551 2.370 19751 10524 1 17 . 1 1 62 62 VAL CA C 62 61.709 61.709 60.884 0.825 19751 10525 1 17 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.914 -1.559 19751 10526 1 17 . 1 1 62 62 VAL H H 62 8.091 8.091 8.104 -0.013 19751 10527 1 17 . 1 1 63 63 SER N N 63 120.076 120.076 120.480 -0.404 19751 10528 1 17 . 1 1 63 63 SER HA H 63 4.542 4.542 4.730 -0.188 19751 10529 1 17 . 1 1 63 63 SER C C 63 174.254 174.254 172.947 1.307 19751 10530 1 17 . 1 1 63 63 SER CA C 63 58.375 58.375 57.642 0.733 19751 10531 1 17 . 1 1 63 63 SER CB C 63 64.196 64.196 65.165 -0.968 19751 10532 1 17 . 1 1 63 63 SER H H 63 8.524 8.524 8.238 0.286 19751 10533 1 17 . 1 1 64 64 GLY N N 64 109.912 109.912 110.576 -0.664 19751 10534 1 17 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.921 -0.537 19751 10535 1 17 . 1 1 64 64 GLY H H 64 8.255 8.255 8.523 -0.268 19751 10536 1 17 . 1 1 65 65 THR N N 65 114.200 114.200 115.260 -1.060 19751 10537 1 17 . 1 1 65 65 THR HA H 65 4.929 4.929 5.131 -0.202 19751 10538 1 17 . 1 1 65 65 THR CA C 65 60.826 60.826 61.368 -0.542 19751 10539 1 17 . 1 1 65 65 THR CB C 65 71.805 71.805 72.380 -0.576 19751 10540 1 17 . 1 1 65 65 THR H H 65 8.468 8.468 8.336 0.132 19751 10541 1 17 . 1 1 66 66 LEU N N 66 122.673 122.673 122.909 -0.236 19751 10542 1 17 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.776 0.145 19751 10543 1 17 . 1 1 66 66 LEU C C 66 174.364 174.364 174.739 -0.375 19751 10544 1 17 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.750 -1.340 19751 10545 1 17 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.183 -0.733 19751 10546 1 17 . 1 1 66 66 LEU H H 66 9.054 9.054 8.576 0.478 19751 10547 1 17 . 1 1 67 67 LEU N N 67 124.219 124.219 126.807 -2.588 19751 10548 1 17 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.738 0.470 19751 10549 1 17 . 1 1 67 67 LEU C C 67 177.107 177.107 175.756 1.351 19751 10550 1 17 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.510 -0.737 19751 10551 1 17 . 1 1 67 67 LEU CB C 67 42.206 42.206 40.884 1.322 19751 10552 1 17 . 1 1 67 67 LEU H H 67 8.927 8.927 9.145 -0.218 19751 10553 1 17 . 1 1 68 68 VAL N N 68 121.113 121.113 126.010 -4.897 19751 10554 1 17 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.304 0.552 19751 10555 1 17 . 1 1 68 68 VAL C C 68 174.079 174.079 174.301 -0.222 19751 10556 1 17 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.932 -0.074 19751 10557 1 17 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.938 0.077 19751 10558 1 17 . 1 1 68 68 VAL H H 68 9.345 9.345 8.771 0.574 19751 10559 1 17 . 1 1 69 69 GLU N N 69 127.682 127.682 130.676 -2.994 19751 10560 1 17 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.609 0.290 19751 10561 1 17 . 1 1 69 69 GLU C C 69 173.485 173.485 174.914 -1.429 19751 10562 1 17 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.413 -1.066 19751 10563 1 17 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.364 0.607 19751 10564 1 17 . 1 1 69 69 GLU H H 69 8.110 8.110 8.643 -0.533 19751 10565 1 17 . 1 1 70 70 ALA N N 70 130.042 130.042 127.249 2.793 19751 10566 1 17 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.613 -0.049 19751 10567 1 17 . 1 1 70 70 ALA C C 70 174.853 174.853 175.409 -0.556 19751 10568 1 17 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.020 0.684 19751 10569 1 17 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.565 -0.134 19751 10570 1 17 . 1 1 70 70 ALA H H 70 7.991 7.991 8.031 -0.040 19751 10571 1 17 . 1 1 71 71 ASP N N 71 117.021 117.021 119.102 -2.081 19751 10572 1 17 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.729 -0.149 19751 10573 1 17 . 1 1 71 71 ASP C C 71 175.160 175.160 176.843 -1.683 19751 10574 1 17 . 1 1 71 71 ASP CA C 71 53.043 53.043 52.826 0.217 19751 10575 1 17 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.904 -1.982 19751 10576 1 17 . 1 1 71 71 ASP H H 71 8.025 8.025 8.355 -0.330 19751 10577 1 17 . 1 1 72 72 ASP N N 72 119.867 119.867 120.288 -0.421 19751 10578 1 17 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.452 0.671 19751 10579 1 17 . 1 1 72 72 ASP C C 72 177.598 177.598 177.224 0.374 19751 10580 1 17 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.327 1.130 19751 10581 1 17 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.111 -0.122 19751 10582 1 17 . 1 1 72 72 ASP H H 72 8.644 8.644 8.488 0.156 19751 10583 1 17 . 1 1 73 73 ALA N N 73 120.735 120.735 122.321 -1.586 19751 10584 1 17 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.028 -0.076 19751 10585 1 17 . 1 1 73 73 ALA C C 73 181.711 181.711 180.014 1.697 19751 10586 1 17 . 1 1 73 73 ALA CA C 73 55.357 55.357 55.045 0.312 19751 10587 1 17 . 1 1 73 73 ALA CB C 73 17.821 17.821 17.992 -0.171 19751 10588 1 17 . 1 1 73 73 ALA H H 73 8.212 8.212 8.331 -0.119 19751 10589 1 17 . 1 1 74 74 SER N N 74 116.971 116.971 113.760 3.211 19751 10590 1 17 . 1 1 74 74 SER HA H 74 4.207 4.207 4.220 -0.013 19751 10591 1 17 . 1 1 74 74 SER C C 74 176.918 176.918 176.440 0.478 19751 10592 1 17 . 1 1 74 74 SER CA C 74 61.632 61.632 60.769 0.863 19751 10593 1 17 . 1 1 74 74 SER CB C 74 62.233 62.233 62.945 -0.712 19751 10594 1 17 . 1 1 74 74 SER H H 74 8.376 8.376 8.157 0.219 19751 10595 1 17 . 1 1 75 75 ALA N N 75 124.844 124.844 125.555 -0.711 19751 10596 1 17 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.885 -0.063 19751 10597 1 17 . 1 1 75 75 ALA C C 75 179.160 179.160 178.806 0.354 19751 10598 1 17 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.070 0.231 19751 10599 1 17 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.771 0.741 19751 10600 1 17 . 1 1 75 75 ALA H H 75 9.121 9.121 7.844 1.277 19751 10601 1 17 . 1 1 76 76 LYS N N 76 117.821 117.821 118.131 -0.310 19751 10602 1 17 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.970 -0.165 19751 10603 1 17 . 1 1 76 76 LYS C C 76 179.175 179.175 178.495 0.680 19751 10604 1 17 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.339 0.799 19751 10605 1 17 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.784 0.578 19751 10606 1 17 . 1 1 76 76 LYS H H 76 8.306 8.306 7.992 0.314 19751 10607 1 17 . 1 1 77 77 ALA N N 77 122.703 122.703 121.194 1.509 19751 10608 1 17 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.131 0.059 19751 10609 1 17 . 1 1 77 77 ALA C C 77 180.868 180.868 179.707 1.161 19751 10610 1 17 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.698 0.454 19751 10611 1 17 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.244 -0.412 19751 10612 1 17 . 1 1 77 77 ALA H H 77 7.584 7.584 7.532 0.052 19751 10613 1 17 . 1 1 78 78 LEU N N 78 120.574 120.574 118.832 1.742 19751 10614 1 17 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.070 -0.034 19751 10615 1 17 . 1 1 78 78 LEU C C 78 178.870 178.870 179.083 -0.213 19751 10616 1 17 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.894 0.994 19751 10617 1 17 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.964 0.515 19751 10618 1 17 . 1 1 78 78 LEU H H 78 8.338 8.338 7.722 0.616 19751 10619 1 17 . 1 1 79 79 ALA N N 79 121.156 121.156 121.433 -0.277 19751 10620 1 17 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.131 -0.236 19751 10621 1 17 . 1 1 79 79 ALA C C 79 179.393 179.393 178.968 0.425 19751 10622 1 17 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.229 0.531 19751 10623 1 17 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.400 -1.144 19751 10624 1 17 . 1 1 79 79 ALA H H 79 8.491 8.491 8.552 -0.061 19751 10625 1 17 . 1 1 80 80 THR N N 80 114.097 114.097 112.307 1.790 19751 10626 1 17 . 1 1 80 80 THR HA H 80 4.048 4.048 4.261 -0.213 19751 10627 1 17 . 1 1 80 80 THR C C 80 177.034 177.034 176.266 0.768 19751 10628 1 17 . 1 1 80 80 THR CA C 80 66.139 66.139 65.715 0.424 19751 10629 1 17 . 1 1 80 80 THR CB C 80 69.243 69.243 68.997 0.246 19751 10630 1 17 . 1 1 80 80 THR H H 80 8.111 8.111 7.711 0.400 19751 10631 1 17 . 1 1 81 81 ARG N N 81 121.321 121.321 120.143 1.178 19751 10632 1 17 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.171 -0.228 19751 10633 1 17 . 1 1 81 81 ARG C C 81 177.546 177.546 178.029 -0.483 19751 10634 1 17 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.457 0.583 19751 10635 1 17 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.362 0.361 19751 10636 1 17 . 1 1 81 81 ARG H H 81 7.893 7.893 7.617 0.276 19751 10637 1 17 . 1 1 82 82 HIS N N 82 113.320 113.320 115.077 -1.757 19751 10638 1 17 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.505 0.204 19751 10639 1 17 . 1 1 82 82 HIS C C 82 174.918 174.918 175.898 -0.980 19751 10640 1 17 . 1 1 82 82 HIS CA C 82 56.162 56.162 56.543 -0.381 19751 10641 1 17 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.378 1.131 19751 10642 1 17 . 1 1 82 82 HIS H H 82 7.684 7.684 7.902 -0.218 19751 10643 1 17 . 1 1 83 83 GLY N N 83 109.763 109.763 106.234 3.529 19751 10644 1 17 . 1 1 83 83 GLY C C 83 174.866 174.866 174.226 0.640 19751 10645 1 17 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.914 2.363 19751 10646 1 17 . 1 1 83 83 GLY H H 83 7.707 7.707 7.722 -0.015 19751 10647 1 17 . 1 1 84 84 LEU N N 84 119.225 119.225 119.273 -0.048 19751 10648 1 17 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.568 0.266 19751 10649 1 17 . 1 1 84 84 LEU C C 84 174.880 174.880 176.388 -1.508 19751 10650 1 17 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.082 -1.213 19751 10651 1 17 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.759 2.324 19751 10652 1 17 . 1 1 84 84 LEU H H 84 8.672 8.672 7.343 1.329 19751 10653 1 17 . 1 1 85 85 ASN N N 85 117.042 117.042 117.266 -0.224 19751 10654 1 17 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.893 0.275 19751 10655 1 17 . 1 1 85 85 ASN C C 85 175.212 175.212 174.153 1.059 19751 10656 1 17 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.124 -0.266 19751 10657 1 17 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.952 -0.070 19751 10658 1 17 . 1 1 85 85 ASN H H 85 8.955 8.955 8.379 0.576 19751 10659 1 17 . 1 1 86 86 PHE N N 86 126.957 126.957 126.916 0.041 19751 10660 1 17 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.464 -0.023 19751 10661 1 17 . 1 1 86 86 PHE C C 86 173.744 173.744 174.829 -1.085 19751 10662 1 17 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.839 0.767 19751 10663 1 17 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.088 -0.024 19751 10664 1 17 . 1 1 86 86 PHE H H 86 9.221 9.221 8.990 0.231 19751 10665 1 17 . 1 1 87 87 LYS N N 87 129.305 129.305 128.217 1.088 19751 10666 1 17 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.101 0.250 19751 10667 1 17 . 1 1 87 87 LYS C C 87 175.203 175.203 175.835 -0.632 19751 10668 1 17 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.864 -0.167 19751 10669 1 17 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.699 -0.125 19751 10670 1 17 . 1 1 87 87 LYS H H 87 8.397 8.397 8.727 -0.330 19751 10671 1 17 . 1 1 88 88 GLN N N 88 110.785 110.785 114.297 -3.512 19751 10672 1 17 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.160 0.231 19751 10673 1 17 . 1 1 88 88 GLN C C 88 185.308 185.308 173.478 11.830 19751 10674 1 17 . 1 1 88 88 GLN CA C 88 54.753 54.753 55.149 -0.396 19751 10675 1 17 . 1 1 88 88 GLN H H 88 6.855 6.855 7.644 -0.789 19751 10676 1 17 . 1 1 89 89 SER N N 89 113.927 113.927 114.873 -0.946 19751 10677 1 17 . 1 1 89 89 SER HA H 89 5.298 5.298 5.126 0.172 19751 10678 1 17 . 1 1 89 89 SER C C 89 173.757 173.757 173.992 -0.235 19751 10679 1 17 . 1 1 89 89 SER CA C 89 56.776 56.776 57.212 -0.436 19751 10680 1 17 . 1 1 89 89 SER CB C 89 67.417 67.417 65.858 1.559 19751 10681 1 17 . 1 1 89 89 SER H H 89 8.718 8.718 8.467 0.251 19751 10682 1 17 . 1 1 90 90 SER N N 90 114.246 114.246 118.784 -4.538 19751 10683 1 17 . 1 1 90 90 SER HA H 90 4.597 4.597 4.664 -0.067 19751 10684 1 17 . 1 1 90 90 SER CA C 90 58.356 58.356 57.840 0.516 19751 10685 1 17 . 1 1 90 90 SER CB C 90 63.952 63.952 62.759 1.193 19751 10686 1 17 . 1 1 90 90 SER H H 90 8.479 8.479 8.407 0.072 19751 10687 1 17 . 1 1 91 91 GLY N N 91 116.101 116.101 115.034 1.067 19751 10688 1 17 . 1 1 91 91 GLY C C 91 174.853 174.853 174.677 0.176 19751 10689 1 17 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.281 1.874 19751 10690 1 17 . 1 1 91 91 GLY H H 91 8.490 8.490 8.566 -0.076 19751 10691 1 17 . 1 1 92 92 GLY N N 92 107.199 107.199 108.737 -1.538 19751 10692 1 17 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.114 -0.448 19751 10693 1 17 . 1 1 92 92 GLY H H 92 8.914 8.914 7.848 1.066 19751 10694 1 17 . 1 1 93 93 ILE N N 93 118.958 118.958 116.328 2.630 19751 10695 1 17 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.939 -0.201 19751 10696 1 17 . 1 1 93 93 ILE C C 93 175.050 175.050 173.907 1.143 19751 10697 1 17 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.619 -1.084 19751 10698 1 17 . 1 1 93 93 ILE CB C 93 38.109 38.109 40.344 -2.235 19751 10699 1 17 . 1 1 93 93 ILE H H 93 7.540 7.540 7.620 -0.080 19751 10700 1 17 . 1 1 94 94 ALA N N 94 131.032 131.032 129.444 1.588 19751 10701 1 17 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.151 -0.423 19751 10702 1 17 . 1 1 94 94 ALA C C 94 174.512 174.512 177.487 -2.975 19751 10703 1 17 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.660 -0.222 19751 10704 1 17 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.666 2.146 19751 10705 1 17 . 1 1 94 94 ALA H H 94 9.561 9.561 9.164 0.397 19751 10706 1 17 . 1 1 95 95 LEU N N 95 123.066 123.066 124.778 -1.712 19751 10707 1 17 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.647 0.316 19751 10708 1 17 . 1 1 95 95 LEU C C 95 174.922 174.922 175.604 -0.682 19751 10709 1 17 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.224 0.291 19751 10710 1 17 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.512 2.693 19751 10711 1 17 . 1 1 95 95 LEU H H 95 8.641 8.641 8.278 0.363 19751 10712 1 17 . 1 1 96 96 LEU N N 96 124.843 124.843 124.628 0.215 19751 10713 1 17 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.929 0.242 19751 10714 1 17 . 1 1 96 96 LEU C C 96 175.059 175.059 177.051 -1.992 19751 10715 1 17 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.769 -1.130 19751 10716 1 17 . 1 1 96 96 LEU CB C 96 44.269 44.269 42.989 1.280 19751 10717 1 17 . 1 1 96 96 LEU H H 96 9.235 9.235 8.081 1.154 19751 10718 1 17 . 1 1 97 97 GLU N N 97 121.306 121.306 120.393 0.913 19751 10719 1 17 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.670 0.189 19751 10720 1 17 . 1 1 97 97 GLU C C 97 175.343 175.343 175.557 -0.214 19751 10721 1 17 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.837 0.254 19751 10722 1 17 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.806 2.608 19751 10723 1 17 . 1 1 97 97 GLU H H 97 9.113 9.113 8.551 0.562 19751 10724 1 17 . 1 1 98 98 ALA N N 98 126.658 126.658 127.959 -1.301 19751 10725 1 17 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.322 0.452 19751 10726 1 17 . 1 1 98 98 ALA C C 98 176.880 176.880 176.703 0.177 19751 10727 1 17 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.521 -0.926 19751 10728 1 17 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.708 1.675 19751 10729 1 17 . 1 1 98 98 ALA H H 98 8.731 8.731 8.458 0.273 19751 10730 1 17 . 1 1 99 99 LYS N N 99 121.674 121.674 123.135 -1.461 19751 10731 1 17 . 1 1 99 99 LYS H H 99 8.636 8.636 8.186 0.450 19751 10732 1 17 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.139 0.323 19751 10733 1 17 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.422 0.066 19751 10734 1 17 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.801 1.385 19751 10735 1 17 . 1 1 101 101 GLY N N 101 110.695 110.695 113.865 -3.170 19751 10736 1 17 . 1 1 101 101 GLY C C 101 174.676 174.676 174.317 0.359 19751 10737 1 17 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.932 0.251 19751 10738 1 17 . 1 1 101 101 GLY H H 101 8.709 8.709 8.318 0.391 19751 10739 1 17 . 1 1 102 102 THR N N 102 116.771 116.771 119.626 -2.855 19751 10740 1 17 . 1 1 102 102 THR HA H 102 4.134 4.134 4.386 -0.252 19751 10741 1 17 . 1 1 102 102 THR CA C 102 62.998 62.998 63.028 -0.030 19751 10742 1 17 . 1 1 102 102 THR CB C 102 69.736 69.736 69.526 0.210 19751 10743 1 17 . 1 1 102 102 THR H H 102 7.652 7.652 7.612 0.040 19751 10744 1 17 . 1 1 103 103 ASP N N 103 125.950 125.950 128.687 -2.737 19751 10745 1 17 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.617 0.087 19751 10746 1 17 . 1 1 103 103 ASP C C 103 175.907 175.907 177.346 -1.439 19751 10747 1 17 . 1 1 103 103 ASP CA C 103 52.747 52.747 54.610 -1.863 19751 10748 1 17 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.161 0.826 19751 10749 1 17 . 1 1 103 103 ASP H H 103 8.849 8.849 8.935 -0.086 19751 10750 1 17 . 1 1 104 104 LEU N N 104 127.195 127.195 119.756 7.439 19751 10751 1 17 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.844 0.027 19751 10752 1 17 . 1 1 104 104 LEU C C 104 178.528 178.528 177.827 0.701 19751 10753 1 17 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.393 -0.965 19751 10754 1 17 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.464 0.718 19751 10755 1 17 . 1 1 104 104 LEU H H 104 8.464 8.464 7.921 0.543 19751 10756 1 17 . 1 1 105 105 ASN N N 105 116.748 116.748 117.414 -0.666 19751 10757 1 17 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.317 0.020 19751 10758 1 17 . 1 1 105 105 ASN C C 105 177.999 177.999 177.223 0.776 19751 10759 1 17 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.660 -0.118 19751 10760 1 17 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.413 0.812 19751 10761 1 17 . 1 1 105 105 ASN H H 105 8.225 8.225 8.480 -0.255 19751 10762 1 17 . 1 1 106 106 ALA N N 106 123.704 123.704 121.290 2.414 19751 10763 1 17 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.161 -0.075 19751 10764 1 17 . 1 1 106 106 ALA C C 106 181.021 181.021 178.673 2.348 19751 10765 1 17 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.173 0.711 19751 10766 1 17 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.491 -0.508 19751 10767 1 17 . 1 1 106 106 ALA H H 106 7.810 7.810 7.439 0.371 19751 10768 1 17 . 1 1 107 107 ILE N N 107 118.676 118.676 119.284 -0.608 19751 10769 1 17 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.551 0.103 19751 10770 1 17 . 1 1 107 107 ILE C C 107 177.324 177.324 178.112 -0.788 19751 10771 1 17 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.365 -0.530 19751 10772 1 17 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.502 0.105 19751 10773 1 17 . 1 1 107 107 ILE H H 107 7.582 7.582 7.147 0.435 19751 10774 1 17 . 1 1 108 108 ALA N N 108 122.550 122.550 122.101 0.449 19751 10775 1 17 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.932 -0.131 19751 10776 1 17 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.288 0.790 19751 10777 1 17 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.850 0.087 19751 10778 1 17 . 1 1 108 108 ALA H H 108 8.551 8.551 7.780 0.771 19751 10779 1 17 . 1 1 109 109 THR N N 109 113.975 113.975 113.011 0.964 19751 10780 1 17 . 1 1 109 109 THR HA H 109 3.806 3.806 3.988 -0.182 19751 10781 1 17 . 1 1 109 109 THR C C 109 176.632 176.632 176.661 -0.029 19751 10782 1 17 . 1 1 109 109 THR CA C 109 67.362 67.362 66.013 1.349 19751 10783 1 17 . 1 1 109 109 THR CB C 109 68.554 68.554 68.621 -0.067 19751 10784 1 17 . 1 1 109 109 THR H H 109 8.197 8.197 7.601 0.596 19751 10785 1 17 . 1 1 110 110 LYS N N 110 123.603 123.603 120.680 2.923 19751 10786 1 17 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.251 -0.174 19751 10787 1 17 . 1 1 110 110 LYS C C 110 179.640 179.640 178.068 1.572 19751 10788 1 17 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.500 1.865 19751 10789 1 17 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.085 -0.014 19751 10790 1 17 . 1 1 110 110 LYS H H 110 7.656 7.656 7.911 -0.255 19751 10791 1 17 . 1 1 111 111 LEU N N 111 120.492 120.492 119.479 1.013 19751 10792 1 17 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.209 -0.352 19751 10793 1 17 . 1 1 111 111 LEU C C 111 179.289 179.289 178.949 0.340 19751 10794 1 17 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.794 0.321 19751 10795 1 17 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.651 -0.536 19751 10796 1 17 . 1 1 111 111 LEU H H 111 8.441 8.441 7.383 1.058 19751 10797 1 17 . 1 1 112 112 LYS N N 112 120.305 120.305 118.412 1.893 19751 10798 1 17 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.204 0.237 19751 10799 1 17 . 1 1 112 112 LYS C C 112 181.574 181.574 179.052 2.522 19751 10800 1 17 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.933 0.678 19751 10801 1 17 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.926 0.367 19751 10802 1 17 . 1 1 112 112 LYS H H 112 8.452 8.452 8.153 0.299 19751 10803 1 17 . 1 1 113 113 SER N N 113 116.992 116.992 114.419 2.573 19751 10804 1 17 . 1 1 113 113 SER HA H 113 4.389 4.389 4.282 0.107 19751 10805 1 17 . 1 1 113 113 SER C C 113 175.200 175.200 175.794 -0.594 19751 10806 1 17 . 1 1 113 113 SER CA C 113 61.260 61.260 60.894 0.366 19751 10807 1 17 . 1 1 113 113 SER CB C 113 62.863 62.863 62.910 -0.047 19751 10808 1 17 . 1 1 113 113 SER H H 113 7.995 7.995 7.842 0.153 19751 10809 1 17 . 1 1 114 114 GLU N N 114 120.677 120.677 118.331 2.346 19751 10810 1 17 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.394 0.037 19751 10811 1 17 . 1 1 114 114 GLU C C 114 176.506 176.506 176.984 -0.478 19751 10812 1 17 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.649 -0.337 19751 10813 1 17 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.847 -1.450 19751 10814 1 17 . 1 1 114 114 GLU H H 114 7.577 7.577 7.872 -0.294 19751 10815 1 17 . 1 1 115 115 GLY N N 115 107.383 107.383 107.796 -0.413 19751 10816 1 17 . 1 1 115 115 GLY C C 115 174.019 174.019 173.561 0.458 19751 10817 1 17 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.773 0.725 19751 10818 1 17 . 1 1 115 115 GLY H H 115 7.947 7.947 7.773 0.174 19751 10819 1 17 . 1 1 116 116 VAL N N 116 121.389 121.389 120.774 0.615 19751 10820 1 17 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.222 -0.090 19751 10821 1 17 . 1 1 116 116 VAL C C 116 175.092 175.092 174.714 0.378 19751 10822 1 17 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.025 1.052 19751 10823 1 17 . 1 1 116 116 VAL CB C 116 33.043 33.043 31.814 1.230 19751 10824 1 17 . 1 1 116 116 VAL H H 116 7.704 7.704 7.505 0.199 19751 10825 1 17 . 1 1 117 117 ASN N N 117 125.670 125.670 126.501 -0.831 19751 10826 1 17 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.778 0.016 19751 10827 1 17 . 1 1 117 117 ASN C C 117 173.847 173.847 174.114 -0.267 19751 10828 1 17 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.575 -0.371 19751 10829 1 17 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.847 -0.846 19751 10830 1 17 . 1 1 117 117 ASN H H 117 9.161 9.161 8.687 0.474 19751 10831 1 17 . 1 1 118 118 VAL N N 118 121.648 121.648 118.482 3.166 19751 10832 1 17 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.041 0.232 19751 10833 1 17 . 1 1 118 118 VAL C C 118 173.553 173.553 173.380 0.173 19751 10834 1 17 . 1 1 118 118 VAL CA C 118 58.505 58.505 58.970 -0.465 19751 10835 1 17 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.664 -0.575 19751 10836 1 17 . 1 1 118 118 VAL H H 118 7.811 7.811 7.782 0.029 19751 10837 1 17 . 1 1 119 119 GLN N N 119 124.298 124.298 119.837 4.461 19751 10838 1 17 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.698 -0.045 19751 10839 1 17 . 1 1 119 119 GLN C C 119 174.263 174.263 174.062 0.201 19751 10840 1 17 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.045 0.198 19751 10841 1 17 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.789 -0.263 19751 10842 1 17 . 1 1 119 119 GLN H H 119 8.746 8.746 8.238 0.508 19751 10843 1 17 . 1 1 120 120 ILE N N 120 122.997 122.997 126.318 -3.321 19751 10844 1 17 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.240 0.208 19751 10845 1 17 . 1 1 120 120 ILE C C 120 175.616 175.616 176.000 -0.384 19751 10846 1 17 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.895 1.062 19751 10847 1 17 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.371 3.559 19751 10848 1 17 . 1 1 120 120 ILE H H 120 8.670 8.670 8.639 0.031 19751 10849 1 17 . 1 1 121 121 GLU N N 121 128.460 128.460 127.575 0.885 19751 10850 1 17 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.607 -0.112 19751 10851 1 17 . 1 1 121 121 GLU C C 121 175.490 175.490 174.969 0.521 19751 10852 1 17 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.708 0.941 19751 10853 1 17 . 1 1 121 121 GLU CB C 121 31.190 31.190 33.078 -1.887 19751 10854 1 17 . 1 1 121 121 GLU H H 121 8.641 8.641 8.586 0.055 19751 10855 1 17 . 1 1 122 122 LEU N N 122 126.756 126.756 120.411 6.345 19751 10856 1 17 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.646 -0.067 19751 10857 1 17 . 1 1 122 122 LEU C C 122 177.291 177.291 176.148 1.143 19751 10858 1 17 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.490 1.022 19751 10859 1 17 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.318 -1.896 19751 10860 1 17 . 1 1 122 122 LEU H H 122 8.642 8.642 8.390 0.252 19751 10861 1 17 . 1 1 123 123 SER N N 123 117.273 117.273 115.804 1.469 19751 10862 1 17 . 1 1 123 123 SER HA H 123 4.430 4.430 4.650 -0.220 19751 10863 1 17 . 1 1 123 123 SER C C 123 175.066 175.066 174.120 0.946 19751 10864 1 17 . 1 1 123 123 SER CA C 123 58.499 58.499 57.752 0.747 19751 10865 1 17 . 1 1 123 123 SER CB C 123 63.946 63.946 63.514 0.431 19751 10866 1 17 . 1 1 123 123 SER H H 123 8.496 8.496 8.935 -0.439 19751 10867 1 17 . 1 1 124 124 GLY N N 124 111.280 111.280 107.618 3.662 19751 10868 1 17 . 1 1 124 124 GLY C C 124 174.099 174.099 173.966 0.133 19751 10869 1 17 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.033 -0.654 19751 10870 1 17 . 1 1 124 124 GLY H H 124 8.566 8.566 8.060 0.506 19751 10871 1 17 . 1 1 125 125 ALA N N 125 123.586 123.586 123.112 0.474 19751 10872 1 17 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.046 0.261 19751 10873 1 17 . 1 1 125 125 ALA C C 125 177.915 177.915 177.250 0.665 19751 10874 1 17 . 1 1 125 125 ALA CA C 125 52.617 52.617 53.784 -1.167 19751 10875 1 17 . 1 1 125 125 ALA CB C 125 19.308 19.308 18.726 0.582 19751 10876 1 17 . 1 1 125 125 ALA H H 125 8.158 8.158 8.366 -0.208 19751 10877 1 17 . 1 1 126 126 GLU N N 126 120.076 120.076 116.443 3.633 19751 10878 1 17 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.230 0.121 19751 10879 1 17 . 1 1 126 126 GLU C C 126 176.544 176.544 175.312 1.232 19751 10880 1 17 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.844 1.039 19751 10881 1 17 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.499 0.111 19751 10882 1 17 . 1 1 126 126 GLU H H 126 8.524 8.524 8.092 0.432 19751 10883 1 17 . 1 1 127 127 GLN N N 127 121.453 121.453 118.575 2.878 19751 10884 1 17 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.447 -0.140 19751 10885 1 17 . 1 1 127 127 GLN C C 127 175.691 175.691 174.529 1.162 19751 10886 1 17 . 1 1 127 127 GLN CA C 127 55.580 55.580 54.897 0.683 19751 10887 1 17 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.809 -0.107 19751 10888 1 17 . 1 1 127 127 GLN H H 127 8.356 8.356 8.256 0.100 19751 10889 1 17 . 1 1 128 128 GLN N N 128 122.570 122.570 123.045 -0.475 19751 10890 1 17 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.715 -0.130 19751 10891 1 17 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.616 0.128 19751 10892 1 17 . 1 1 128 128 GLN CB C 128 28.864 28.864 30.138 -1.274 19751 10893 1 17 . 1 1 128 128 GLN H H 128 8.348 8.348 8.642 -0.294 19751 10894 1 17 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.532 -0.131 19751 10895 1 17 . 1 1 129 129 PRO C C 129 175.988 175.988 175.960 0.028 19751 10896 1 17 . 1 1 129 129 PRO CA C 129 63.449 63.449 63.093 0.356 19751 10897 1 17 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.742 -0.785 19751 10898 1 18 . 1 1 2 2 GLU N N 2 122.196 122.196 122.516 -0.320 19751 10899 1 18 . 1 1 2 2 GLU HA H 2 4.235 4.235 5.005 -0.770 19751 10900 1 18 . 1 1 2 2 GLU C C 2 175.712 175.712 174.266 1.446 19751 10901 1 18 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.146 0.486 19751 10902 1 18 . 1 1 2 2 GLU CB C 2 29.971 29.971 31.358 -1.387 19751 10903 1 18 . 1 1 2 2 GLU H H 2 8.617 8.617 8.911 -0.294 19751 10904 1 18 . 1 1 3 3 SER N N 3 116.623 116.623 121.012 -4.389 19751 10905 1 18 . 1 1 3 3 SER HA H 3 4.597 4.597 4.773 -0.176 19751 10906 1 18 . 1 1 3 3 SER C C 3 174.294 174.294 172.877 1.417 19751 10907 1 18 . 1 1 3 3 SER CA C 3 58.386 58.386 57.882 0.504 19751 10908 1 18 . 1 1 3 3 SER CB C 3 64.039 64.039 63.980 0.059 19751 10909 1 18 . 1 1 3 3 SER H H 3 8.305 8.305 8.345 -0.040 19751 10910 1 18 . 1 1 4 4 VAL N N 4 121.759 121.759 121.723 0.036 19751 10911 1 18 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.659 -0.350 19751 10912 1 18 . 1 1 4 4 VAL C C 4 176.177 176.177 174.688 1.489 19751 10913 1 18 . 1 1 4 4 VAL CA C 4 61.709 61.709 61.365 0.344 19751 10914 1 18 . 1 1 4 4 VAL CB C 4 33.355 33.355 33.299 0.056 19751 10915 1 18 . 1 1 4 4 VAL H H 4 8.303 8.303 8.076 0.227 19751 10916 1 18 . 1 1 5 5 THR N N 5 118.335 118.335 118.192 0.143 19751 10917 1 18 . 1 1 5 5 THR HA H 5 4.592 4.592 4.697 -0.105 19751 10918 1 18 . 1 1 5 5 THR C C 5 173.579 173.579 173.337 0.242 19751 10919 1 18 . 1 1 5 5 THR CA C 5 62.022 62.022 61.892 0.130 19751 10920 1 18 . 1 1 5 5 THR CB C 5 70.047 70.047 70.069 -0.022 19751 10921 1 18 . 1 1 5 5 THR H H 5 8.319 8.319 8.100 0.219 19751 10922 1 18 . 1 1 6 6 MET N N 6 123.858 123.858 123.390 0.468 19751 10923 1 18 . 1 1 6 6 MET CA C 6 57.260 57.260 55.378 1.882 19751 10924 1 18 . 1 1 6 6 MET CB C 6 33.780 33.780 34.105 -0.325 19751 10925 1 18 . 1 1 6 6 MET H H 6 8.035 8.035 8.452 -0.417 19751 10926 1 18 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.885 -0.388 19751 10927 1 18 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.535 0.615 19751 10928 1 18 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.219 -0.955 19751 10929 1 18 . 1 1 8 8 GLY N N 8 114.130 114.130 111.002 3.128 19751 10930 1 18 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.941 0.672 19751 10931 1 18 . 1 1 8 8 GLY H H 8 8.386 8.386 8.157 0.229 19751 10932 1 18 . 1 1 9 9 LYS N N 9 120.803 120.803 121.808 -1.005 19751 10933 1 18 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.682 -0.338 19751 10934 1 18 . 1 1 9 9 LYS H H 9 8.021 8.021 8.301 -0.280 19751 10935 1 18 . 1 1 10 10 GLN N N 10 120.522 120.522 121.026 -0.504 19751 10936 1 18 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.631 -0.164 19751 10937 1 18 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.701 -0.420 19751 10938 1 18 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.329 0.081 19751 10939 1 18 . 1 1 10 10 GLN H H 10 8.246 8.246 8.362 -0.116 19751 10940 1 18 . 1 1 11 11 TYR N N 11 121.213 121.213 120.914 0.299 19751 10941 1 18 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.822 -0.523 19751 10942 1 18 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.403 -0.454 19751 10943 1 18 . 1 1 11 11 TYR CB C 11 43.274 43.274 40.928 2.346 19751 10944 1 18 . 1 1 11 11 TYR H H 11 8.873 8.873 8.463 0.410 19751 10945 1 18 . 1 1 12 12 SER N N 12 117.406 117.406 118.273 -0.867 19751 10946 1 18 . 1 1 12 12 SER HA H 12 4.715 4.715 4.866 -0.151 19751 10947 1 18 . 1 1 12 12 SER CA C 12 57.374 57.374 58.247 -0.873 19751 10948 1 18 . 1 1 12 12 SER CB C 12 63.946 63.946 63.246 0.700 19751 10949 1 18 . 1 1 12 12 SER H H 12 9.047 9.047 8.783 0.264 19751 10950 1 18 . 1 1 13 13 THR N N 13 112.091 112.091 116.213 -4.122 19751 10951 1 18 . 1 1 13 13 THR HA H 13 4.929 4.929 4.611 0.318 19751 10952 1 18 . 1 1 13 13 THR CA C 13 60.716 60.716 61.807 -1.091 19751 10953 1 18 . 1 1 13 13 THR CB C 13 71.808 71.808 69.798 2.010 19751 10954 1 18 . 1 1 13 13 THR H H 13 8.235 8.235 8.298 -0.063 19751 10955 1 18 . 1 1 14 14 ILE N N 14 120.891 120.891 120.985 -0.094 19751 10956 1 18 . 1 1 14 14 ILE H H 14 9.108 9.108 8.238 0.870 19751 10957 1 18 . 1 1 15 15 GLU N N 15 127.598 127.598 127.168 0.430 19751 10958 1 18 . 1 1 15 15 GLU H H 15 8.300 8.300 8.390 -0.090 19751 10959 1 18 . 1 1 16 16 VAL N N 16 126.224 126.224 124.337 1.887 19751 10960 1 18 . 1 1 16 16 VAL HA H 16 4.284 4.284 3.946 0.338 19751 10961 1 18 . 1 1 16 16 VAL CA C 16 61.835 61.835 63.110 -1.275 19751 10962 1 18 . 1 1 16 16 VAL CB C 16 34.896 34.896 30.430 4.466 19751 10963 1 18 . 1 1 16 16 VAL H H 16 9.320 9.320 8.824 0.496 19751 10964 1 18 . 1 1 17 17 ASN N N 17 123.394 123.394 124.832 -1.438 19751 10965 1 18 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.380 0.784 19751 10966 1 18 . 1 1 17 17 ASN CA C 17 53.549 53.549 54.164 -0.615 19751 10967 1 18 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.825 -0.610 19751 10968 1 18 . 1 1 17 17 ASN H H 17 9.310 9.310 8.990 0.320 19751 10969 1 18 . 1 1 18 18 GLY H H 18 9.024 9.024 7.717 1.307 19751 10970 1 18 . 1 1 19 19 GLN N N 19 119.994 119.994 120.645 -0.651 19751 10971 1 18 . 1 1 19 19 GLN H H 19 7.990 7.990 7.856 0.134 19751 10972 1 18 . 1 1 20 20 THR N N 20 117.472 117.472 121.749 -4.277 19751 10973 1 18 . 1 1 20 20 THR HA H 20 4.384 4.384 4.227 0.157 19751 10974 1 18 . 1 1 20 20 THR CA C 20 63.334 63.334 62.908 0.426 19751 10975 1 18 . 1 1 20 20 THR CB C 20 69.401 69.401 69.264 0.137 19751 10976 1 18 . 1 1 20 20 THR H H 20 8.401 8.401 8.142 0.259 19751 10977 1 18 . 1 1 21 21 TYR N N 21 126.847 126.847 121.808 5.039 19751 10978 1 18 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.733 -0.571 19751 10979 1 18 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.534 -0.047 19751 10980 1 18 . 1 1 21 21 TYR CB C 21 43.330 43.330 40.667 2.663 19751 10981 1 18 . 1 1 21 21 TYR H H 21 9.367 9.367 8.210 1.157 19751 10982 1 18 . 1 1 22 22 LEU N N 22 118.537 118.537 123.484 -4.947 19751 10983 1 18 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.739 -0.547 19751 10984 1 18 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.364 2.558 19751 10985 1 18 . 1 1 22 22 LEU CB C 22 43.212 43.212 43.949 -0.737 19751 10986 1 18 . 1 1 22 22 LEU H H 22 9.060 9.060 8.539 0.521 19751 10987 1 18 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.511 -0.120 19751 10988 1 18 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.834 0.499 19751 10989 1 18 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.433 -0.293 19751 10990 1 18 . 1 1 25 25 ASP N N 25 121.554 121.554 120.000 1.554 19751 10991 1 18 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.737 -0.145 19751 10992 1 18 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.925 0.383 19751 10993 1 18 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.672 -0.585 19751 10994 1 18 . 1 1 25 25 ASP H H 25 8.324 8.324 8.454 -0.130 19751 10995 1 18 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.810 -0.071 19751 10996 1 18 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.531 -0.875 19751 10997 1 18 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.553 -0.421 19751 10998 1 18 . 1 1 27 27 GLY N N 27 109.206 109.206 109.982 -0.776 19751 10999 1 18 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.727 0.687 19751 11000 1 18 . 1 1 27 27 GLY H H 27 8.494 8.494 8.435 0.059 19751 11001 1 18 . 1 1 28 28 SER N N 28 116.238 116.238 117.156 -0.918 19751 11002 1 18 . 1 1 28 28 SER HA H 28 4.384 4.384 4.734 -0.350 19751 11003 1 18 . 1 1 28 28 SER CA C 28 60.226 60.226 58.320 1.906 19751 11004 1 18 . 1 1 28 28 SER CB C 28 63.818 63.818 64.061 -0.243 19751 11005 1 18 . 1 1 28 28 SER H H 28 8.372 8.372 8.204 0.168 19751 11006 1 18 . 1 1 29 29 LYS N N 29 121.905 121.905 123.107 -1.202 19751 11007 1 18 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.700 -0.369 19751 11008 1 18 . 1 1 29 29 LYS CA C 29 56.353 56.353 55.605 0.748 19751 11009 1 18 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.844 -0.498 19751 11010 1 18 . 1 1 29 29 LYS H H 29 8.027 8.027 8.586 -0.559 19751 11011 1 18 . 1 1 30 30 LYS N N 30 122.663 122.663 121.913 0.750 19751 11012 1 18 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.470 -0.176 19751 11013 1 18 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.660 0.554 19751 11014 1 18 . 1 1 30 30 LYS CB C 30 33.171 33.171 34.493 -1.322 19751 11015 1 18 . 1 1 30 30 LYS H H 30 8.223 8.223 8.566 -0.343 19751 11016 1 18 . 1 1 31 31 ARG N N 31 123.469 123.469 123.740 -0.271 19751 11017 1 18 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.700 -0.345 19751 11018 1 18 . 1 1 31 31 ARG CA C 31 56.295 56.295 56.100 0.195 19751 11019 1 18 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.153 0.701 19751 11020 1 18 . 1 1 31 31 ARG H H 31 8.404 8.404 8.517 -0.113 19751 11021 1 18 . 1 1 32 32 VAL N N 32 122.456 122.456 118.982 3.474 19751 11022 1 18 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.541 -0.298 19751 11023 1 18 . 1 1 32 32 VAL CA C 32 62.316 62.316 62.097 0.219 19751 11024 1 18 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.027 -0.164 19751 11025 1 18 . 1 1 32 32 VAL H H 32 8.214 8.214 8.451 -0.237 19751 11026 1 18 . 1 1 33 33 ALA N N 33 127.685 127.685 130.427 -2.742 19751 11027 1 18 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.468 -0.166 19751 11028 1 18 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.864 0.753 19751 11029 1 18 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.016 -0.708 19751 11030 1 18 . 1 1 33 33 ALA H H 33 8.374 8.374 8.446 -0.072 19751 11031 1 18 . 1 1 34 34 ARG N N 34 119.922 119.922 123.446 -3.524 19751 11032 1 18 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.797 -0.474 19751 11033 1 18 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.965 0.855 19751 11034 1 18 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.489 -1.329 19751 11035 1 18 . 1 1 34 34 ARG H H 34 8.652 8.652 8.861 -0.209 19751 11036 1 18 . 1 1 35 35 SER N N 35 116.881 116.881 120.036 -3.155 19751 11037 1 18 . 1 1 35 35 SER HA H 35 4.543 4.543 4.590 -0.047 19751 11038 1 18 . 1 1 35 35 SER CA C 35 58.440 58.440 58.397 0.043 19751 11039 1 18 . 1 1 35 35 SER CB C 35 64.094 64.094 64.272 -0.178 19751 11040 1 18 . 1 1 35 35 SER H H 35 8.359 8.359 8.731 -0.372 19751 11041 1 18 . 1 1 36 36 LEU N N 36 124.595 124.595 127.331 -2.736 19751 11042 1 18 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.605 -0.232 19751 11043 1 18 . 1 1 36 36 LEU CA C 36 55.594 55.594 56.314 -0.720 19751 11044 1 18 . 1 1 36 36 LEU CB C 36 42.278 42.278 42.906 -0.628 19751 11045 1 18 . 1 1 36 36 LEU H H 36 8.546 8.546 8.391 0.155 19751 11046 1 18 . 1 1 37 37 ASP N N 37 119.422 119.422 122.406 -2.984 19751 11047 1 18 . 1 1 37 37 ASP HA H 37 4.592 4.592 4.794 -0.202 19751 11048 1 18 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.571 0.737 19751 11049 1 18 . 1 1 37 37 ASP CB C 37 41.182 41.182 41.653 -0.471 19751 11050 1 18 . 1 1 37 37 ASP H H 37 8.186 8.186 8.349 -0.163 19751 11051 1 18 . 1 1 38 38 SER N N 38 116.413 116.413 116.425 -0.012 19751 11052 1 18 . 1 1 38 38 SER HA H 38 4.450 4.450 4.858 -0.408 19751 11053 1 18 . 1 1 38 38 SER CA C 38 58.499 58.499 57.752 0.747 19751 11054 1 18 . 1 1 38 38 SER CB C 38 63.818 63.818 63.954 -0.136 19751 11055 1 18 . 1 1 38 38 SER H H 38 8.177 8.177 8.629 -0.452 19751 11056 1 18 . 1 1 39 39 LYS N N 39 123.095 123.095 124.698 -1.603 19751 11057 1 18 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.812 -0.475 19751 11058 1 18 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.721 0.958 19751 11059 1 18 . 1 1 39 39 LYS CB C 39 32.232 32.232 34.385 -2.153 19751 11060 1 18 . 1 1 39 39 LYS H H 39 8.379 8.379 8.510 -0.131 19751 11061 1 18 . 1 1 40 40 VAL N N 40 122.475 122.475 124.731 -2.256 19751 11062 1 18 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.211 0.177 19751 11063 1 18 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.103 -0.942 19751 11064 1 18 . 1 1 40 40 VAL CB C 40 32.615 32.615 32.718 -0.103 19751 11065 1 18 . 1 1 40 40 VAL H H 40 8.069 8.069 8.439 -0.370 19751 11066 1 18 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.611 -0.190 19751 11067 1 18 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.279 -0.521 19751 11068 1 18 . 1 1 41 41 PRO CB C 41 32.307 32.307 32.306 0.001 19751 11069 1 18 . 1 1 42 42 GLN N N 42 121.230 121.230 121.057 0.173 19751 11070 1 18 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.368 -0.089 19751 11071 1 18 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.982 0.046 19751 11072 1 18 . 1 1 42 42 GLN CB C 42 29.719 29.719 29.889 -0.170 19751 11073 1 18 . 1 1 42 42 GLN H H 42 8.482 8.482 8.367 0.115 19751 11074 1 18 . 1 1 43 43 GLN N N 43 121.831 121.831 125.673 -3.842 19751 11075 1 18 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.717 -0.328 19751 11076 1 18 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.317 -0.393 19751 11077 1 18 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.605 -1.076 19751 11078 1 18 . 1 1 43 43 GLN H H 43 8.506 8.506 8.640 -0.134 19751 11079 1 18 . 1 1 44 44 THR N N 44 116.251 116.251 114.905 1.346 19751 11080 1 18 . 1 1 44 44 THR HA H 44 4.302 4.302 4.621 -0.319 19751 11081 1 18 . 1 1 44 44 THR CA C 44 61.922 61.922 62.393 -0.471 19751 11082 1 18 . 1 1 44 44 THR CB C 44 69.811 69.811 69.620 0.191 19751 11083 1 18 . 1 1 44 44 THR H H 44 8.231 8.231 8.265 -0.034 19751 11084 1 18 . 1 1 45 45 LEU N N 45 125.046 125.046 124.033 1.013 19751 11085 1 18 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.839 -0.341 19751 11086 1 18 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.737 0.370 19751 11087 1 18 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.752 -0.940 19751 11088 1 18 . 1 1 45 45 LEU H H 45 8.257 8.257 8.777 -0.520 19751 11089 1 18 . 1 1 46 46 ARG N N 46 120.522 120.522 123.947 -3.425 19751 11090 1 18 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.971 -0.738 19751 11091 1 18 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.248 1.216 19751 11092 1 18 . 1 1 46 46 ARG CB C 46 29.971 29.971 33.154 -3.183 19751 11093 1 18 . 1 1 46 46 ARG H H 46 8.007 8.007 8.779 -0.772 19751 11094 1 18 . 1 1 47 47 ARG N N 47 121.010 121.010 120.698 0.312 19751 11095 1 18 . 1 1 47 47 ARG H H 47 8.324 8.324 8.674 -0.350 19751 11096 1 18 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.982 0.358 19751 11097 1 18 . 1 1 49 49 ASP N N 49 120.513 120.513 120.802 -0.289 19751 11098 1 18 . 1 1 49 49 ASP HA H 49 4.619 4.619 5.051 -0.432 19751 11099 1 18 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.328 1.002 19751 11100 1 18 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.927 -1.764 19751 11101 1 18 . 1 1 49 49 ASP H H 49 8.225 8.225 8.784 -0.559 19751 11102 1 18 . 1 1 50 50 VAL N N 50 119.718 119.718 119.329 0.389 19751 11103 1 18 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.871 -0.799 19751 11104 1 18 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.163 1.239 19751 11105 1 18 . 1 1 50 50 VAL CB C 50 32.794 32.794 34.535 -1.741 19751 11106 1 18 . 1 1 50 50 VAL H H 50 8.024 8.024 8.694 -0.670 19751 11107 1 18 . 1 1 51 51 LEU N N 51 125.249 125.249 122.485 2.764 19751 11108 1 18 . 1 1 51 51 LEU HA H 51 4.346 4.346 5.159 -0.813 19751 11109 1 18 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.021 1.349 19751 11110 1 18 . 1 1 51 51 LEU CB C 51 42.379 42.379 44.293 -1.914 19751 11111 1 18 . 1 1 51 51 LEU H H 51 8.305 8.305 9.073 -0.768 19751 11112 1 18 . 1 1 52 52 MET HA H 52 4.458 4.458 5.084 -0.626 19751 11113 1 18 . 1 1 52 52 MET CA C 52 55.417 55.417 55.050 0.367 19751 11114 1 18 . 1 1 52 52 MET CB C 52 32.264 32.264 35.239 -2.975 19751 11115 1 18 . 1 1 53 53 GLN N N 53 121.447 121.447 120.435 1.012 19751 11116 1 18 . 1 1 53 53 GLN HA H 53 4.307 4.307 5.068 -0.761 19751 11117 1 18 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.085 1.129 19751 11118 1 18 . 1 1 53 53 GLN CB C 53 29.697 29.697 31.024 -1.327 19751 11119 1 18 . 1 1 53 53 GLN H H 53 8.373 8.373 9.874 -1.501 19751 11120 1 18 . 1 1 54 54 GLY N N 54 110.484 110.484 108.638 1.846 19751 11121 1 18 . 1 1 54 54 GLY CA C 54 45.250 45.250 44.409 0.841 19751 11122 1 18 . 1 1 54 54 GLY H H 54 8.456 8.456 8.535 -0.079 19751 11123 1 18 . 1 1 55 55 ALA N N 55 123.673 123.673 124.404 -0.731 19751 11124 1 18 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.738 -0.431 19751 11125 1 18 . 1 1 55 55 ALA C C 55 177.397 177.397 176.581 0.816 19751 11126 1 18 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.360 0.257 19751 11127 1 18 . 1 1 55 55 ALA CB C 55 19.308 19.308 19.206 0.102 19751 11128 1 18 . 1 1 55 55 ALA H H 55 8.113 8.113 8.292 -0.179 19751 11129 1 18 . 1 1 56 56 ALA N N 56 123.295 123.295 124.889 -1.594 19751 11130 1 18 . 1 1 56 56 ALA HA H 56 4.303 4.303 4.488 -0.185 19751 11131 1 18 . 1 1 56 56 ALA C C 56 177.446 177.446 175.711 1.735 19751 11132 1 18 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.078 0.354 19751 11133 1 18 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.224 -0.916 19751 11134 1 18 . 1 1 56 56 ALA H H 56 8.297 8.297 7.798 0.499 19751 11135 1 18 . 1 1 57 57 SER N N 57 116.534 116.534 116.446 0.088 19751 11136 1 18 . 1 1 57 57 SER HA H 57 4.737 4.737 4.619 0.118 19751 11137 1 18 . 1 1 57 57 SER CA C 57 56.332 56.332 57.733 -1.401 19751 11138 1 18 . 1 1 57 57 SER CB C 57 63.567 63.567 63.215 0.352 19751 11139 1 18 . 1 1 57 57 SER H H 57 8.258 8.258 8.221 0.037 19751 11140 1 18 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.895 -0.493 19751 11141 1 18 . 1 1 58 58 PRO C C 58 176.874 176.874 175.793 1.081 19751 11142 1 18 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.212 0.145 19751 11143 1 18 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.329 -0.294 19751 11144 1 18 . 1 1 59 59 GLU N N 59 120.545 120.545 118.983 1.562 19751 11145 1 18 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.496 -0.260 19751 11146 1 18 . 1 1 59 59 GLU C C 59 176.383 176.383 174.380 2.003 19751 11147 1 18 . 1 1 59 59 GLU CA C 59 56.575 56.575 56.181 0.395 19751 11148 1 18 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.397 -1.294 19751 11149 1 18 . 1 1 59 59 GLU H H 59 8.556 8.556 8.469 0.087 19751 11150 1 18 . 1 1 60 60 LEU N N 60 122.946 122.946 121.743 1.203 19751 11151 1 18 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.846 -0.402 19751 11152 1 18 . 1 1 60 60 LEU C C 60 177.201 177.201 175.260 1.941 19751 11153 1 18 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.733 0.387 19751 11154 1 18 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.606 -1.318 19751 11155 1 18 . 1 1 60 60 LEU H H 60 8.205 8.205 8.510 -0.305 19751 11156 1 18 . 1 1 61 61 THR N N 61 115.168 115.168 113.541 1.627 19751 11157 1 18 . 1 1 61 61 THR HA H 61 4.380 4.380 4.603 -0.223 19751 11158 1 18 . 1 1 61 61 THR C C 61 174.201 174.201 173.588 0.613 19751 11159 1 18 . 1 1 61 61 THR CA C 61 61.792 61.792 60.124 1.668 19751 11160 1 18 . 1 1 61 61 THR CB C 61 69.770 69.770 71.232 -1.462 19751 11161 1 18 . 1 1 61 61 THR H H 61 8.149 8.149 8.283 -0.134 19751 11162 1 18 . 1 1 62 62 VAL N N 62 121.650 121.650 117.677 3.973 19751 11163 1 18 . 1 1 62 62 VAL HA H 62 4.319 4.319 3.762 0.557 19751 11164 1 18 . 1 1 62 62 VAL C C 62 175.921 175.921 174.344 1.577 19751 11165 1 18 . 1 1 62 62 VAL CA C 62 61.709 61.709 63.558 -1.849 19751 11166 1 18 . 1 1 62 62 VAL CB C 62 33.355 33.355 31.651 1.704 19751 11167 1 18 . 1 1 62 62 VAL H H 62 8.091 8.091 8.397 -0.306 19751 11168 1 18 . 1 1 63 63 SER N N 63 120.076 120.076 116.744 3.332 19751 11169 1 18 . 1 1 63 63 SER HA H 63 4.542 4.542 4.656 -0.114 19751 11170 1 18 . 1 1 63 63 SER C C 63 174.254 174.254 173.266 0.988 19751 11171 1 18 . 1 1 63 63 SER CA C 63 58.375 58.375 57.772 0.603 19751 11172 1 18 . 1 1 63 63 SER CB C 63 64.196 64.196 65.220 -1.024 19751 11173 1 18 . 1 1 63 63 SER H H 63 8.524 8.524 8.348 0.176 19751 11174 1 18 . 1 1 64 64 GLY N N 64 109.912 109.912 111.045 -1.133 19751 11175 1 18 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.838 -0.454 19751 11176 1 18 . 1 1 64 64 GLY H H 64 8.255 8.255 8.619 -0.364 19751 11177 1 18 . 1 1 65 65 THR N N 65 114.200 114.200 117.004 -2.804 19751 11178 1 18 . 1 1 65 65 THR HA H 65 4.929 4.929 5.275 -0.346 19751 11179 1 18 . 1 1 65 65 THR CA C 65 60.826 60.826 61.049 -0.223 19751 11180 1 18 . 1 1 65 65 THR CB C 65 71.805 71.805 72.867 -1.062 19751 11181 1 18 . 1 1 65 65 THR H H 65 8.468 8.468 8.351 0.117 19751 11182 1 18 . 1 1 66 66 LEU N N 66 122.673 122.673 123.255 -0.582 19751 11183 1 18 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.856 0.065 19751 11184 1 18 . 1 1 66 66 LEU C C 66 174.364 174.364 174.374 -0.010 19751 11185 1 18 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.086 -0.676 19751 11186 1 18 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.838 -1.388 19751 11187 1 18 . 1 1 66 66 LEU H H 66 9.054 9.054 8.876 0.178 19751 11188 1 18 . 1 1 67 67 LEU N N 67 124.219 124.219 126.614 -2.395 19751 11189 1 18 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.857 0.351 19751 11190 1 18 . 1 1 67 67 LEU C C 67 177.107 177.107 175.782 1.325 19751 11191 1 18 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.078 -0.305 19751 11192 1 18 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.515 0.691 19751 11193 1 18 . 1 1 67 67 LEU H H 67 8.927 8.927 9.044 -0.117 19751 11194 1 18 . 1 1 68 68 VAL N N 68 121.113 121.113 125.480 -4.367 19751 11195 1 18 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.247 0.609 19751 11196 1 18 . 1 1 68 68 VAL C C 68 174.079 174.079 174.225 -0.146 19751 11197 1 18 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.370 -0.512 19751 11198 1 18 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.887 0.128 19751 11199 1 18 . 1 1 68 68 VAL H H 68 9.345 9.345 8.804 0.541 19751 11200 1 18 . 1 1 69 69 GLU N N 69 127.682 127.682 130.858 -3.176 19751 11201 1 18 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.541 0.358 19751 11202 1 18 . 1 1 69 69 GLU C C 69 173.485 173.485 174.958 -1.473 19751 11203 1 18 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.666 -1.319 19751 11204 1 18 . 1 1 69 69 GLU CB C 69 28.971 28.971 29.086 -0.115 19751 11205 1 18 . 1 1 69 69 GLU H H 69 8.110 8.110 8.670 -0.560 19751 11206 1 18 . 1 1 70 70 ALA N N 70 130.042 130.042 127.627 2.415 19751 11207 1 18 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.538 0.026 19751 11208 1 18 . 1 1 70 70 ALA C C 70 174.853 174.853 175.743 -0.890 19751 11209 1 18 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.426 0.278 19751 11210 1 18 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.177 0.254 19751 11211 1 18 . 1 1 70 70 ALA H H 70 7.991 7.991 7.699 0.292 19751 11212 1 18 . 1 1 71 71 ASP N N 71 117.021 117.021 120.170 -3.149 19751 11213 1 18 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.717 -0.137 19751 11214 1 18 . 1 1 71 71 ASP C C 71 175.160 175.160 176.988 -1.828 19751 11215 1 18 . 1 1 71 71 ASP CA C 71 53.043 53.043 54.068 -1.025 19751 11216 1 18 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.955 -2.033 19751 11217 1 18 . 1 1 71 71 ASP H H 71 8.025 8.025 8.519 -0.494 19751 11218 1 18 . 1 1 72 72 ASP N N 72 119.867 119.867 121.246 -1.379 19751 11219 1 18 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.755 0.368 19751 11220 1 18 . 1 1 72 72 ASP C C 72 177.598 177.598 177.508 0.090 19751 11221 1 18 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.952 0.505 19751 11222 1 18 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.688 -0.699 19751 11223 1 18 . 1 1 72 72 ASP H H 72 8.644 8.644 8.702 -0.058 19751 11224 1 18 . 1 1 73 73 ALA N N 73 120.735 120.735 120.572 0.163 19751 11225 1 18 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.050 -0.098 19751 11226 1 18 . 1 1 73 73 ALA C C 73 181.711 181.711 179.910 1.801 19751 11227 1 18 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.969 0.388 19751 11228 1 18 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.244 -0.423 19751 11229 1 18 . 1 1 73 73 ALA H H 73 8.212 8.212 8.280 -0.068 19751 11230 1 18 . 1 1 74 74 SER N N 74 116.971 116.971 114.558 2.413 19751 11231 1 18 . 1 1 74 74 SER HA H 74 4.207 4.207 4.155 0.052 19751 11232 1 18 . 1 1 74 74 SER C C 74 176.918 176.918 176.179 0.739 19751 11233 1 18 . 1 1 74 74 SER CA C 74 61.632 61.632 60.592 1.040 19751 11234 1 18 . 1 1 74 74 SER CB C 74 62.233 62.233 63.164 -0.931 19751 11235 1 18 . 1 1 74 74 SER H H 74 8.376 8.376 7.486 0.890 19751 11236 1 18 . 1 1 75 75 ALA N N 75 124.844 124.844 125.366 -0.522 19751 11237 1 18 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.715 0.107 19751 11238 1 18 . 1 1 75 75 ALA C C 75 179.160 179.160 178.940 0.220 19751 11239 1 18 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.045 0.256 19751 11240 1 18 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.450 1.062 19751 11241 1 18 . 1 1 75 75 ALA H H 75 9.121 9.121 7.632 1.489 19751 11242 1 18 . 1 1 76 76 LYS N N 76 117.821 117.821 117.729 0.092 19751 11243 1 18 . 1 1 76 76 LYS HA H 76 3.805 3.805 4.008 -0.203 19751 11244 1 18 . 1 1 76 76 LYS C C 76 179.175 179.175 178.485 0.690 19751 11245 1 18 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.310 0.827 19751 11246 1 18 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.850 0.512 19751 11247 1 18 . 1 1 76 76 LYS H H 76 8.306 8.306 7.740 0.566 19751 11248 1 18 . 1 1 77 77 ALA N N 77 122.703 122.703 121.200 1.503 19751 11249 1 18 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.145 0.045 19751 11250 1 18 . 1 1 77 77 ALA C C 77 180.868 180.868 179.685 1.183 19751 11251 1 18 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.628 0.524 19751 11252 1 18 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.233 -0.401 19751 11253 1 18 . 1 1 77 77 ALA H H 77 7.584 7.584 7.559 0.025 19751 11254 1 18 . 1 1 78 78 LEU N N 78 120.574 120.574 118.835 1.739 19751 11255 1 18 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.060 -0.024 19751 11256 1 18 . 1 1 78 78 LEU C C 78 178.870 178.870 179.060 -0.190 19751 11257 1 18 . 1 1 78 78 LEU CA C 78 57.888 57.888 57.019 0.869 19751 11258 1 18 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.971 0.507 19751 11259 1 18 . 1 1 78 78 LEU H H 78 8.338 8.338 7.818 0.520 19751 11260 1 18 . 1 1 79 79 ALA N N 79 121.156 121.156 121.202 -0.046 19751 11261 1 18 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.123 -0.228 19751 11262 1 18 . 1 1 79 79 ALA C C 79 179.393 179.393 179.029 0.364 19751 11263 1 18 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.203 0.557 19751 11264 1 18 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.388 -1.132 19751 11265 1 18 . 1 1 79 79 ALA H H 79 8.491 8.491 8.416 0.075 19751 11266 1 18 . 1 1 80 80 THR N N 80 114.097 114.097 112.246 1.851 19751 11267 1 18 . 1 1 80 80 THR HA H 80 4.048 4.048 4.279 -0.231 19751 11268 1 18 . 1 1 80 80 THR C C 80 177.034 177.034 176.329 0.705 19751 11269 1 18 . 1 1 80 80 THR CA C 80 66.139 66.139 65.383 0.756 19751 11270 1 18 . 1 1 80 80 THR CB C 80 69.243 69.243 68.925 0.318 19751 11271 1 18 . 1 1 80 80 THR H H 80 8.111 8.111 7.736 0.375 19751 11272 1 18 . 1 1 81 81 ARG N N 81 121.321 121.321 120.111 1.210 19751 11273 1 18 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.118 -0.175 19751 11274 1 18 . 1 1 81 81 ARG C C 81 177.546 177.546 178.154 -0.608 19751 11275 1 18 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.470 0.570 19751 11276 1 18 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.302 0.421 19751 11277 1 18 . 1 1 81 81 ARG H H 81 7.893 7.893 7.575 0.318 19751 11278 1 18 . 1 1 82 82 HIS N N 82 113.320 113.320 114.449 -1.129 19751 11279 1 18 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.553 0.156 19751 11280 1 18 . 1 1 82 82 HIS C C 82 174.918 174.918 176.333 -1.415 19751 11281 1 18 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.180 -1.018 19751 11282 1 18 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.410 1.098 19751 11283 1 18 . 1 1 82 82 HIS H H 82 7.684 7.684 7.909 -0.225 19751 11284 1 18 . 1 1 83 83 GLY N N 83 109.763 109.763 106.883 2.880 19751 11285 1 18 . 1 1 83 83 GLY C C 83 174.866 174.866 174.192 0.674 19751 11286 1 18 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.970 2.307 19751 11287 1 18 . 1 1 83 83 GLY H H 83 7.707 7.707 7.693 0.014 19751 11288 1 18 . 1 1 84 84 LEU N N 84 119.225 119.225 118.138 1.087 19751 11289 1 18 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.557 0.277 19751 11290 1 18 . 1 1 84 84 LEU C C 84 174.880 174.880 176.206 -1.326 19751 11291 1 18 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.096 -1.227 19751 11292 1 18 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.765 2.318 19751 11293 1 18 . 1 1 84 84 LEU H H 84 8.672 8.672 7.283 1.389 19751 11294 1 18 . 1 1 85 85 ASN N N 85 117.042 117.042 117.395 -0.353 19751 11295 1 18 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.916 0.252 19751 11296 1 18 . 1 1 85 85 ASN C C 85 175.212 175.212 174.192 1.020 19751 11297 1 18 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.144 -0.286 19751 11298 1 18 . 1 1 85 85 ASN CB C 85 40.882 40.882 41.205 -0.323 19751 11299 1 18 . 1 1 85 85 ASN H H 85 8.955 8.955 7.849 1.106 19751 11300 1 18 . 1 1 86 86 PHE N N 86 126.957 126.957 126.647 0.310 19751 11301 1 18 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.535 -0.094 19751 11302 1 18 . 1 1 86 86 PHE C C 86 173.744 173.744 174.984 -1.240 19751 11303 1 18 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.398 1.208 19751 11304 1 18 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.004 0.060 19751 11305 1 18 . 1 1 86 86 PHE H H 86 9.221 9.221 8.920 0.301 19751 11306 1 18 . 1 1 87 87 LYS N N 87 129.305 129.305 129.492 -0.187 19751 11307 1 18 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.023 0.328 19751 11308 1 18 . 1 1 87 87 LYS C C 87 175.203 175.203 176.077 -0.874 19751 11309 1 18 . 1 1 87 87 LYS CA C 87 56.697 56.697 57.439 -0.742 19751 11310 1 18 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.243 0.331 19751 11311 1 18 . 1 1 87 87 LYS H H 87 8.397 8.397 8.690 -0.293 19751 11312 1 18 . 1 1 88 88 GLN N N 88 110.785 110.785 113.685 -2.900 19751 11313 1 18 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.252 0.139 19751 11314 1 18 . 1 1 88 88 GLN C C 88 185.308 185.308 173.194 12.114 19751 11315 1 18 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.821 -0.068 19751 11316 1 18 . 1 1 88 88 GLN H H 88 6.855 6.855 7.566 -0.711 19751 11317 1 18 . 1 1 89 89 SER N N 89 113.927 113.927 114.923 -0.996 19751 11318 1 18 . 1 1 89 89 SER HA H 89 5.298 5.298 5.080 0.218 19751 11319 1 18 . 1 1 89 89 SER C C 89 173.757 173.757 174.404 -0.647 19751 11320 1 18 . 1 1 89 89 SER CA C 89 56.776 56.776 56.772 0.004 19751 11321 1 18 . 1 1 89 89 SER CB C 89 67.417 67.417 65.556 1.861 19751 11322 1 18 . 1 1 89 89 SER H H 89 8.718 8.718 8.351 0.367 19751 11323 1 18 . 1 1 90 90 SER N N 90 114.246 114.246 117.185 -2.939 19751 11324 1 18 . 1 1 90 90 SER HA H 90 4.597 4.597 4.647 -0.050 19751 11325 1 18 . 1 1 90 90 SER CA C 90 58.356 58.356 58.204 0.152 19751 11326 1 18 . 1 1 90 90 SER CB C 90 63.952 63.952 63.172 0.780 19751 11327 1 18 . 1 1 90 90 SER H H 90 8.479 8.479 8.645 -0.166 19751 11328 1 18 . 1 1 91 91 GLY N N 91 116.101 116.101 108.565 7.536 19751 11329 1 18 . 1 1 91 91 GLY C C 91 174.853 174.853 174.928 -0.075 19751 11330 1 18 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.369 1.786 19751 11331 1 18 . 1 1 91 91 GLY H H 91 8.490 8.490 8.224 0.266 19751 11332 1 18 . 1 1 92 92 GLY N N 92 107.199 107.199 108.118 -0.919 19751 11333 1 18 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.051 -0.385 19751 11334 1 18 . 1 1 92 92 GLY H H 92 8.914 8.914 8.268 0.646 19751 11335 1 18 . 1 1 93 93 ILE N N 93 118.958 118.958 115.466 3.492 19751 11336 1 18 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.759 -0.021 19751 11337 1 18 . 1 1 93 93 ILE C C 93 175.050 175.050 173.525 1.525 19751 11338 1 18 . 1 1 93 93 ILE CA C 93 58.535 58.535 60.017 -1.482 19751 11339 1 18 . 1 1 93 93 ILE CB C 93 38.109 38.109 40.736 -2.627 19751 11340 1 18 . 1 1 93 93 ILE H H 93 7.540 7.540 7.542 -0.002 19751 11341 1 18 . 1 1 94 94 ALA N N 94 131.032 131.032 129.190 1.842 19751 11342 1 18 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.195 -0.467 19751 11343 1 18 . 1 1 94 94 ALA C C 94 174.512 174.512 177.311 -2.799 19751 11344 1 18 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.288 0.150 19751 11345 1 18 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.861 1.951 19751 11346 1 18 . 1 1 94 94 ALA H H 94 9.561 9.561 9.149 0.412 19751 11347 1 18 . 1 1 95 95 LEU N N 95 123.066 123.066 124.415 -1.349 19751 11348 1 18 . 1 1 95 95 LEU HA H 95 4.963 4.963 5.003 -0.040 19751 11349 1 18 . 1 1 95 95 LEU C C 95 174.922 174.922 175.880 -0.958 19751 11350 1 18 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.554 -0.039 19751 11351 1 18 . 1 1 95 95 LEU CB C 95 43.205 43.205 41.190 2.015 19751 11352 1 18 . 1 1 95 95 LEU H H 95 8.641 8.641 8.194 0.447 19751 11353 1 18 . 1 1 96 96 LEU N N 96 124.843 124.843 123.992 0.851 19751 11354 1 18 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.281 -0.110 19751 11355 1 18 . 1 1 96 96 LEU C C 96 175.059 175.059 176.914 -1.855 19751 11356 1 18 . 1 1 96 96 LEU CA C 96 52.639 52.639 52.875 -0.236 19751 11357 1 18 . 1 1 96 96 LEU CB C 96 44.269 44.269 44.084 0.185 19751 11358 1 18 . 1 1 96 96 LEU H H 96 9.235 9.235 8.965 0.270 19751 11359 1 18 . 1 1 97 97 GLU N N 97 121.306 121.306 121.145 0.161 19751 11360 1 18 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.759 0.100 19751 11361 1 18 . 1 1 97 97 GLU C C 97 175.343 175.343 175.300 0.043 19751 11362 1 18 . 1 1 97 97 GLU CA C 97 55.091 55.091 55.182 -0.091 19751 11363 1 18 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.848 2.567 19751 11364 1 18 . 1 1 97 97 GLU H H 97 9.113 9.113 8.318 0.795 19751 11365 1 18 . 1 1 98 98 ALA N N 98 126.658 126.658 128.807 -2.149 19751 11366 1 18 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.428 0.346 19751 11367 1 18 . 1 1 98 98 ALA C C 98 176.880 176.880 176.961 -0.081 19751 11368 1 18 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.465 -0.870 19751 11369 1 18 . 1 1 98 98 ALA CB C 98 21.383 21.383 20.142 1.241 19751 11370 1 18 . 1 1 98 98 ALA H H 98 8.731 8.731 8.053 0.678 19751 11371 1 18 . 1 1 99 99 LYS N N 99 121.674 121.674 122.084 -0.410 19751 11372 1 18 . 1 1 99 99 LYS H H 99 8.636 8.636 8.521 0.115 19751 11373 1 18 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.235 0.227 19751 11374 1 18 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.836 -0.348 19751 11375 1 18 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.944 1.242 19751 11376 1 18 . 1 1 101 101 GLY N N 101 110.695 110.695 113.278 -2.583 19751 11377 1 18 . 1 1 101 101 GLY C C 101 174.676 174.676 173.911 0.765 19751 11378 1 18 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.947 0.236 19751 11379 1 18 . 1 1 101 101 GLY H H 101 8.709 8.709 8.350 0.359 19751 11380 1 18 . 1 1 102 102 THR N N 102 116.771 116.771 119.177 -2.406 19751 11381 1 18 . 1 1 102 102 THR HA H 102 4.134 4.134 4.354 -0.220 19751 11382 1 18 . 1 1 102 102 THR CA C 102 62.998 62.998 63.317 -0.319 19751 11383 1 18 . 1 1 102 102 THR CB C 102 69.736 69.736 69.421 0.315 19751 11384 1 18 . 1 1 102 102 THR H H 102 7.652 7.652 7.558 0.094 19751 11385 1 18 . 1 1 103 103 ASP N N 103 125.950 125.950 129.148 -3.198 19751 11386 1 18 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.652 0.052 19751 11387 1 18 . 1 1 103 103 ASP C C 103 175.907 175.907 177.653 -1.746 19751 11388 1 18 . 1 1 103 103 ASP CA C 103 52.747 52.747 54.469 -1.722 19751 11389 1 18 . 1 1 103 103 ASP CB C 103 39.987 39.987 38.858 1.129 19751 11390 1 18 . 1 1 103 103 ASP H H 103 8.849 8.849 8.913 -0.064 19751 11391 1 18 . 1 1 104 104 LEU N N 104 127.195 127.195 119.654 7.541 19751 11392 1 18 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.891 -0.020 19751 11393 1 18 . 1 1 104 104 LEU C C 104 178.528 178.528 177.930 0.598 19751 11394 1 18 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.107 -0.679 19751 11395 1 18 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.406 0.776 19751 11396 1 18 . 1 1 104 104 LEU H H 104 8.464 8.464 8.012 0.452 19751 11397 1 18 . 1 1 105 105 ASN N N 105 116.748 116.748 117.046 -0.298 19751 11398 1 18 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.310 0.027 19751 11399 1 18 . 1 1 105 105 ASN C C 105 177.999 177.999 176.818 1.181 19751 11400 1 18 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.623 -0.081 19751 11401 1 18 . 1 1 105 105 ASN CB C 105 38.225 38.225 38.246 -0.021 19751 11402 1 18 . 1 1 105 105 ASN H H 105 8.225 8.225 8.463 -0.238 19751 11403 1 18 . 1 1 106 106 ALA N N 106 123.704 123.704 121.608 2.096 19751 11404 1 18 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.225 -0.139 19751 11405 1 18 . 1 1 106 106 ALA C C 106 181.021 181.021 178.928 2.093 19751 11406 1 18 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.086 0.798 19751 11407 1 18 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.864 -0.881 19751 11408 1 18 . 1 1 106 106 ALA H H 106 7.810 7.810 7.493 0.317 19751 11409 1 18 . 1 1 107 107 ILE N N 107 118.676 118.676 119.174 -0.498 19751 11410 1 18 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.461 0.193 19751 11411 1 18 . 1 1 107 107 ILE C C 107 177.324 177.324 178.411 -1.087 19751 11412 1 18 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.783 -0.948 19751 11413 1 18 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.390 0.217 19751 11414 1 18 . 1 1 107 107 ILE H H 107 7.582 7.582 7.378 0.204 19751 11415 1 18 . 1 1 108 108 ALA N N 108 122.550 122.550 121.770 0.780 19751 11416 1 18 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.911 -0.110 19751 11417 1 18 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.393 0.685 19751 11418 1 18 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.782 0.155 19751 11419 1 18 . 1 1 108 108 ALA H H 108 8.551 8.551 7.841 0.710 19751 11420 1 18 . 1 1 109 109 THR N N 109 113.975 113.975 113.184 0.791 19751 11421 1 18 . 1 1 109 109 THR HA H 109 3.806 3.806 4.019 -0.212 19751 11422 1 18 . 1 1 109 109 THR C C 109 176.632 176.632 176.511 0.121 19751 11423 1 18 . 1 1 109 109 THR CA C 109 67.362 67.362 66.317 1.045 19751 11424 1 18 . 1 1 109 109 THR CB C 109 68.554 68.554 68.237 0.317 19751 11425 1 18 . 1 1 109 109 THR H H 109 8.197 8.197 7.481 0.716 19751 11426 1 18 . 1 1 110 110 LYS N N 110 123.603 123.603 120.100 3.503 19751 11427 1 18 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.250 -0.173 19751 11428 1 18 . 1 1 110 110 LYS C C 110 179.640 179.640 177.869 1.771 19751 11429 1 18 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.996 1.369 19751 11430 1 18 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.303 -0.232 19751 11431 1 18 . 1 1 110 110 LYS H H 110 7.656 7.656 7.704 -0.048 19751 11432 1 18 . 1 1 111 111 LEU N N 111 120.492 120.492 119.213 1.279 19751 11433 1 18 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.237 -0.380 19751 11434 1 18 . 1 1 111 111 LEU C C 111 179.289 179.289 179.080 0.209 19751 11435 1 18 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.472 0.643 19751 11436 1 18 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.990 -0.875 19751 11437 1 18 . 1 1 111 111 LEU H H 111 8.441 8.441 7.503 0.938 19751 11438 1 18 . 1 1 112 112 LYS N N 112 120.305 120.305 118.385 1.920 19751 11439 1 18 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.254 0.187 19751 11440 1 18 . 1 1 112 112 LYS C C 112 181.574 181.574 178.678 2.896 19751 11441 1 18 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.913 0.698 19751 11442 1 18 . 1 1 112 112 LYS CB C 112 32.293 32.293 32.072 0.221 19751 11443 1 18 . 1 1 112 112 LYS H H 112 8.452 8.452 8.381 0.071 19751 11444 1 18 . 1 1 113 113 SER N N 113 116.992 116.992 114.468 2.524 19751 11445 1 18 . 1 1 113 113 SER HA H 113 4.389 4.389 4.254 0.135 19751 11446 1 18 . 1 1 113 113 SER C C 113 175.200 175.200 176.136 -0.936 19751 11447 1 18 . 1 1 113 113 SER CA C 113 61.260 61.260 60.715 0.544 19751 11448 1 18 . 1 1 113 113 SER CB C 113 62.863 62.863 63.126 -0.263 19751 11449 1 18 . 1 1 113 113 SER H H 113 7.995 7.995 7.792 0.203 19751 11450 1 18 . 1 1 114 114 GLU N N 114 120.677 120.677 119.639 1.038 19751 11451 1 18 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.347 0.084 19751 11452 1 18 . 1 1 114 114 GLU C C 114 176.506 176.506 177.038 -0.532 19751 11453 1 18 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.335 -0.023 19751 11454 1 18 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.491 -1.095 19751 11455 1 18 . 1 1 114 114 GLU H H 114 7.577 7.577 7.753 -0.176 19751 11456 1 18 . 1 1 115 115 GLY N N 115 107.383 107.383 107.595 -0.212 19751 11457 1 18 . 1 1 115 115 GLY C C 115 174.019 174.019 173.613 0.406 19751 11458 1 18 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.759 0.739 19751 11459 1 18 . 1 1 115 115 GLY H H 115 7.947 7.947 7.644 0.303 19751 11460 1 18 . 1 1 116 116 VAL N N 116 121.389 121.389 120.765 0.624 19751 11461 1 18 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.169 -0.037 19751 11462 1 18 . 1 1 116 116 VAL C C 116 175.092 175.092 174.908 0.184 19751 11463 1 18 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.980 0.097 19751 11464 1 18 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.431 0.612 19751 11465 1 18 . 1 1 116 116 VAL H H 116 7.704 7.704 7.550 0.154 19751 11466 1 18 . 1 1 117 117 ASN N N 117 125.670 125.670 127.239 -1.569 19751 11467 1 18 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.808 -0.014 19751 11468 1 18 . 1 1 117 117 ASN C C 117 173.847 173.847 174.037 -0.190 19751 11469 1 18 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.662 -0.458 19751 11470 1 18 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.848 -0.847 19751 11471 1 18 . 1 1 117 117 ASN H H 117 9.161 9.161 8.577 0.584 19751 11472 1 18 . 1 1 118 118 VAL N N 118 121.648 121.648 119.984 1.664 19751 11473 1 18 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.059 0.214 19751 11474 1 18 . 1 1 118 118 VAL C C 118 173.553 173.553 173.910 -0.357 19751 11475 1 18 . 1 1 118 118 VAL CA C 118 58.505 58.505 58.667 -0.162 19751 11476 1 18 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.087 0.002 19751 11477 1 18 . 1 1 118 118 VAL H H 118 7.811 7.811 7.760 0.051 19751 11478 1 18 . 1 1 119 119 GLN N N 119 124.298 124.298 119.927 4.371 19751 11479 1 18 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.690 -0.037 19751 11480 1 18 . 1 1 119 119 GLN C C 119 174.263 174.263 174.466 -0.203 19751 11481 1 18 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.339 -0.096 19751 11482 1 18 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.293 0.233 19751 11483 1 18 . 1 1 119 119 GLN H H 119 8.746 8.746 8.108 0.638 19751 11484 1 18 . 1 1 120 120 ILE N N 120 122.997 122.997 127.276 -4.279 19751 11485 1 18 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.228 0.220 19751 11486 1 18 . 1 1 120 120 ILE C C 120 175.616 175.616 175.903 -0.287 19751 11487 1 18 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.242 0.715 19751 11488 1 18 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.094 3.836 19751 11489 1 18 . 1 1 120 120 ILE H H 120 8.670 8.670 8.669 0.001 19751 11490 1 18 . 1 1 121 121 GLU N N 121 128.460 128.460 128.140 0.320 19751 11491 1 18 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.608 -0.113 19751 11492 1 18 . 1 1 121 121 GLU C C 121 175.490 175.490 174.586 0.904 19751 11493 1 18 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.247 1.402 19751 11494 1 18 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.926 -1.736 19751 11495 1 18 . 1 1 121 121 GLU H H 121 8.641 8.641 8.122 0.519 19751 11496 1 18 . 1 1 122 122 LEU N N 122 126.756 126.756 120.674 6.082 19751 11497 1 18 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.659 -0.080 19751 11498 1 18 . 1 1 122 122 LEU C C 122 177.291 177.291 175.891 1.400 19751 11499 1 18 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.893 0.619 19751 11500 1 18 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.442 -2.020 19751 11501 1 18 . 1 1 122 122 LEU H H 122 8.642 8.642 8.506 0.136 19751 11502 1 18 . 1 1 123 123 SER N N 123 117.273 117.273 116.443 0.830 19751 11503 1 18 . 1 1 123 123 SER HA H 123 4.430 4.430 4.658 -0.228 19751 11504 1 18 . 1 1 123 123 SER C C 123 175.066 175.066 174.523 0.543 19751 11505 1 18 . 1 1 123 123 SER CA C 123 58.499 58.499 57.907 0.592 19751 11506 1 18 . 1 1 123 123 SER CB C 123 63.946 63.946 63.422 0.524 19751 11507 1 18 . 1 1 123 123 SER H H 123 8.496 8.496 8.745 -0.249 19751 11508 1 18 . 1 1 124 124 GLY N N 124 111.280 111.280 109.174 2.106 19751 11509 1 18 . 1 1 124 124 GLY C C 124 174.099 174.099 174.003 0.096 19751 11510 1 18 . 1 1 124 124 GLY CA C 124 45.379 45.379 45.495 -0.116 19751 11511 1 18 . 1 1 124 124 GLY H H 124 8.566 8.566 7.996 0.570 19751 11512 1 18 . 1 1 125 125 ALA N N 125 123.586 123.586 125.294 -1.708 19751 11513 1 18 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.512 -0.205 19751 11514 1 18 . 1 1 125 125 ALA C C 125 177.915 177.915 176.448 1.467 19751 11515 1 18 . 1 1 125 125 ALA CA C 125 52.617 52.617 52.252 0.365 19751 11516 1 18 . 1 1 125 125 ALA CB C 125 19.308 19.308 17.832 1.476 19751 11517 1 18 . 1 1 125 125 ALA H H 125 8.158 8.158 8.076 0.082 19751 11518 1 18 . 1 1 126 126 GLU N N 126 120.076 120.076 120.886 -0.810 19751 11519 1 18 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.651 -0.300 19751 11520 1 18 . 1 1 126 126 GLU C C 126 176.544 176.544 175.652 0.892 19751 11521 1 18 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.888 0.995 19751 11522 1 18 . 1 1 126 126 GLU CB C 126 30.610 30.610 31.262 -0.652 19751 11523 1 18 . 1 1 126 126 GLU H H 126 8.524 8.524 8.051 0.473 19751 11524 1 18 . 1 1 127 127 GLN N N 127 121.453 121.453 121.869 -0.416 19751 11525 1 18 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.463 -0.156 19751 11526 1 18 . 1 1 127 127 GLN C C 127 175.691 175.691 176.049 -0.358 19751 11527 1 18 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.988 -0.408 19751 11528 1 18 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.651 0.052 19751 11529 1 18 . 1 1 127 127 GLN H H 127 8.356 8.356 8.369 -0.013 19751 11530 1 18 . 1 1 128 128 GLN N N 128 122.570 122.570 122.463 0.107 19751 11531 1 18 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.668 -0.083 19751 11532 1 18 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.951 -0.207 19751 11533 1 18 . 1 1 128 128 GLN CB C 128 28.864 28.864 29.882 -1.018 19751 11534 1 18 . 1 1 128 128 GLN H H 128 8.348 8.348 8.289 0.059 19751 11535 1 18 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.525 -0.124 19751 11536 1 18 . 1 1 129 129 PRO C C 129 175.988 175.988 175.943 0.045 19751 11537 1 18 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.864 0.585 19751 11538 1 18 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.381 -0.424 19751 11539 1 19 . 1 1 2 2 GLU N N 2 122.196 122.196 122.581 -0.385 19751 11540 1 19 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.596 -0.361 19751 11541 1 19 . 1 1 2 2 GLU C C 2 175.712 175.712 175.813 -0.101 19751 11542 1 19 . 1 1 2 2 GLU CA C 2 56.632 56.632 55.975 0.657 19751 11543 1 19 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.683 -0.712 19751 11544 1 19 . 1 1 2 2 GLU H H 2 8.617 8.617 8.331 0.286 19751 11545 1 19 . 1 1 3 3 SER N N 3 116.623 116.623 118.188 -1.565 19751 11546 1 19 . 1 1 3 3 SER HA H 3 4.597 4.597 4.657 -0.060 19751 11547 1 19 . 1 1 3 3 SER C C 3 174.294 174.294 173.489 0.805 19751 11548 1 19 . 1 1 3 3 SER CA C 3 58.386 58.386 57.576 0.810 19751 11549 1 19 . 1 1 3 3 SER CB C 3 64.039 64.039 62.591 1.448 19751 11550 1 19 . 1 1 3 3 SER H H 3 8.305 8.305 8.633 -0.328 19751 11551 1 19 . 1 1 4 4 VAL N N 4 121.759 121.759 126.618 -4.859 19751 11552 1 19 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.243 0.066 19751 11553 1 19 . 1 1 4 4 VAL C C 4 176.177 176.177 175.199 0.978 19751 11554 1 19 . 1 1 4 4 VAL CA C 4 61.709 61.709 61.952 -0.242 19751 11555 1 19 . 1 1 4 4 VAL CB C 4 33.355 33.355 31.407 1.948 19751 11556 1 19 . 1 1 4 4 VAL H H 4 8.303 8.303 7.885 0.418 19751 11557 1 19 . 1 1 5 5 THR N N 5 118.335 118.335 119.128 -0.793 19751 11558 1 19 . 1 1 5 5 THR HA H 5 4.592 4.592 4.587 0.005 19751 11559 1 19 . 1 1 5 5 THR C C 5 173.579 173.579 174.095 -0.516 19751 11560 1 19 . 1 1 5 5 THR CA C 5 62.022 62.022 61.776 0.246 19751 11561 1 19 . 1 1 5 5 THR CB C 5 70.047 70.047 69.174 0.873 19751 11562 1 19 . 1 1 5 5 THR H H 5 8.319 8.319 8.393 -0.074 19751 11563 1 19 . 1 1 6 6 MET N N 6 123.858 123.858 124.594 -0.736 19751 11564 1 19 . 1 1 6 6 MET CA C 6 57.260 57.260 55.776 1.484 19751 11565 1 19 . 1 1 6 6 MET CB C 6 33.780 33.780 34.117 -0.337 19751 11566 1 19 . 1 1 6 6 MET H H 6 8.035 8.035 7.972 0.063 19751 11567 1 19 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.937 -0.440 19751 11568 1 19 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.154 0.996 19751 11569 1 19 . 1 1 7 7 ASP CB C 7 41.264 41.264 41.611 -0.347 19751 11570 1 19 . 1 1 8 8 GLY N N 8 114.130 114.130 110.906 3.224 19751 11571 1 19 . 1 1 8 8 GLY CA C 8 45.613 45.613 45.688 -0.075 19751 11572 1 19 . 1 1 8 8 GLY H H 8 8.386 8.386 8.110 0.276 19751 11573 1 19 . 1 1 9 9 LYS N N 9 120.803 120.803 120.364 0.439 19751 11574 1 19 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.141 0.203 19751 11575 1 19 . 1 1 9 9 LYS H H 9 8.021 8.021 8.250 -0.229 19751 11576 1 19 . 1 1 10 10 GLN N N 10 120.522 120.522 118.550 1.972 19751 11577 1 19 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.095 0.372 19751 11578 1 19 . 1 1 10 10 GLN CA C 10 55.281 55.281 56.139 -0.858 19751 11579 1 19 . 1 1 10 10 GLN CB C 10 30.410 30.410 29.526 0.884 19751 11580 1 19 . 1 1 10 10 GLN H H 10 8.246 8.246 7.740 0.506 19751 11581 1 19 . 1 1 11 11 TYR N N 11 121.213 121.213 118.912 2.301 19751 11582 1 19 . 1 1 11 11 TYR HA H 11 4.299 4.299 4.747 -0.448 19751 11583 1 19 . 1 1 11 11 TYR CA C 11 56.949 56.949 56.556 0.393 19751 11584 1 19 . 1 1 11 11 TYR CB C 11 43.274 43.274 39.337 3.937 19751 11585 1 19 . 1 1 11 11 TYR H H 11 8.873 8.873 7.628 1.245 19751 11586 1 19 . 1 1 12 12 SER N N 12 117.406 117.406 117.756 -0.350 19751 11587 1 19 . 1 1 12 12 SER HA H 12 4.715 4.715 4.775 -0.060 19751 11588 1 19 . 1 1 12 12 SER CA C 12 57.374 57.374 58.806 -1.432 19751 11589 1 19 . 1 1 12 12 SER CB C 12 63.946 63.946 63.642 0.304 19751 11590 1 19 . 1 1 12 12 SER H H 12 9.047 9.047 8.754 0.293 19751 11591 1 19 . 1 1 13 13 THR N N 13 112.091 112.091 120.746 -8.655 19751 11592 1 19 . 1 1 13 13 THR HA H 13 4.929 4.929 4.550 0.379 19751 11593 1 19 . 1 1 13 13 THR CA C 13 60.716 60.716 62.458 -1.742 19751 11594 1 19 . 1 1 13 13 THR CB C 13 71.808 71.808 69.498 2.310 19751 11595 1 19 . 1 1 13 13 THR H H 13 8.235 8.235 8.215 0.020 19751 11596 1 19 . 1 1 14 14 ILE N N 14 120.891 120.891 122.684 -1.793 19751 11597 1 19 . 1 1 14 14 ILE H H 14 9.108 9.108 8.218 0.890 19751 11598 1 19 . 1 1 15 15 GLU N N 15 127.598 127.598 124.271 3.327 19751 11599 1 19 . 1 1 15 15 GLU H H 15 8.300 8.300 8.392 -0.092 19751 11600 1 19 . 1 1 16 16 VAL N N 16 126.224 126.224 122.334 3.890 19751 11601 1 19 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.243 0.041 19751 11602 1 19 . 1 1 16 16 VAL CA C 16 61.835 61.835 62.038 -0.203 19751 11603 1 19 . 1 1 16 16 VAL CB C 16 34.896 34.896 32.685 2.211 19751 11604 1 19 . 1 1 16 16 VAL H H 16 9.320 9.320 8.564 0.756 19751 11605 1 19 . 1 1 17 17 ASN N N 17 123.394 123.394 126.791 -3.397 19751 11606 1 19 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.435 0.729 19751 11607 1 19 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.647 -0.098 19751 11608 1 19 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.857 -0.642 19751 11609 1 19 . 1 1 17 17 ASN H H 17 9.310 9.310 9.340 -0.030 19751 11610 1 19 . 1 1 18 18 GLY H H 18 9.024 9.024 8.413 0.611 19751 11611 1 19 . 1 1 19 19 GLN N N 19 119.994 119.994 119.222 0.772 19751 11612 1 19 . 1 1 19 19 GLN H H 19 7.990 7.990 7.757 0.233 19751 11613 1 19 . 1 1 20 20 THR N N 20 117.472 117.472 115.316 2.156 19751 11614 1 19 . 1 1 20 20 THR HA H 20 4.384 4.384 4.303 0.081 19751 11615 1 19 . 1 1 20 20 THR CA C 20 63.334 63.334 63.043 0.291 19751 11616 1 19 . 1 1 20 20 THR CB C 20 69.401 69.401 69.408 -0.007 19751 11617 1 19 . 1 1 20 20 THR H H 20 8.401 8.401 8.439 -0.038 19751 11618 1 19 . 1 1 21 21 TYR N N 21 126.847 126.847 123.735 3.112 19751 11619 1 19 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.594 -0.432 19751 11620 1 19 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.524 -0.037 19751 11621 1 19 . 1 1 21 21 TYR CB C 21 43.330 43.330 40.376 2.954 19751 11622 1 19 . 1 1 21 21 TYR H H 21 9.367 9.367 8.350 1.017 19751 11623 1 19 . 1 1 22 22 LEU N N 22 118.537 118.537 125.716 -7.179 19751 11624 1 19 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.589 -0.397 19751 11625 1 19 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.240 2.682 19751 11626 1 19 . 1 1 22 22 LEU CB C 22 43.212 43.212 42.991 0.221 19751 11627 1 19 . 1 1 22 22 LEU H H 22 9.060 9.060 7.856 1.204 19751 11628 1 19 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.447 -0.056 19751 11629 1 19 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.872 0.462 19751 11630 1 19 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.345 -0.205 19751 11631 1 19 . 1 1 25 25 ASP N N 25 121.554 121.554 122.165 -0.611 19751 11632 1 19 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.691 -0.099 19751 11633 1 19 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.892 0.416 19751 11634 1 19 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.005 0.082 19751 11635 1 19 . 1 1 25 25 ASP H H 25 8.324 8.324 8.427 -0.103 19751 11636 1 19 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.737 0.002 19751 11637 1 19 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.656 -1.000 19751 11638 1 19 . 1 1 26 26 ASN CB C 26 39.132 39.132 40.016 -0.884 19751 11639 1 19 . 1 1 27 27 GLY N N 27 109.206 109.206 111.399 -2.193 19751 11640 1 19 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.859 0.555 19751 11641 1 19 . 1 1 27 27 GLY H H 27 8.494 8.494 8.531 -0.037 19751 11642 1 19 . 1 1 28 28 SER N N 28 116.238 116.238 115.948 0.290 19751 11643 1 19 . 1 1 28 28 SER HA H 28 4.384 4.384 4.605 -0.221 19751 11644 1 19 . 1 1 28 28 SER CA C 28 60.226 60.226 58.300 1.927 19751 11645 1 19 . 1 1 28 28 SER CB C 28 63.818 63.818 64.593 -0.775 19751 11646 1 19 . 1 1 28 28 SER H H 28 8.372 8.372 8.331 0.041 19751 11647 1 19 . 1 1 29 29 LYS N N 29 121.905 121.905 122.910 -1.005 19751 11648 1 19 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.708 -0.377 19751 11649 1 19 . 1 1 29 29 LYS CA C 29 56.353 56.353 55.780 0.573 19751 11650 1 19 . 1 1 29 29 LYS CB C 29 33.347 33.347 35.936 -2.589 19751 11651 1 19 . 1 1 29 29 LYS H H 29 8.027 8.027 8.431 -0.404 19751 11652 1 19 . 1 1 30 30 LYS N N 30 122.663 122.663 123.219 -0.556 19751 11653 1 19 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.423 -0.129 19751 11654 1 19 . 1 1 30 30 LYS CA C 30 56.214 56.214 56.262 -0.048 19751 11655 1 19 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.545 -0.374 19751 11656 1 19 . 1 1 30 30 LYS H H 30 8.223 8.223 8.559 -0.336 19751 11657 1 19 . 1 1 31 31 ARG N N 31 123.469 123.469 124.683 -1.214 19751 11658 1 19 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.748 -0.393 19751 11659 1 19 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.611 0.684 19751 11660 1 19 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.117 0.737 19751 11661 1 19 . 1 1 31 31 ARG H H 31 8.404 8.404 8.379 0.025 19751 11662 1 19 . 1 1 32 32 VAL N N 32 122.456 122.456 119.134 3.322 19751 11663 1 19 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.511 -0.268 19751 11664 1 19 . 1 1 32 32 VAL CA C 32 62.316 62.316 62.054 0.262 19751 11665 1 19 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.093 -0.230 19751 11666 1 19 . 1 1 32 32 VAL H H 32 8.214 8.214 8.362 -0.148 19751 11667 1 19 . 1 1 33 33 ALA N N 33 127.685 127.685 130.341 -2.656 19751 11668 1 19 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.451 -0.149 19751 11669 1 19 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.922 0.695 19751 11670 1 19 . 1 1 33 33 ALA CB C 33 19.308 19.308 19.978 -0.670 19751 11671 1 19 . 1 1 33 33 ALA H H 33 8.374 8.374 8.299 0.075 19751 11672 1 19 . 1 1 34 34 ARG N N 34 119.922 119.922 123.328 -3.406 19751 11673 1 19 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.838 -0.515 19751 11674 1 19 . 1 1 34 34 ARG CA C 34 56.820 56.820 55.915 0.905 19751 11675 1 19 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.674 -1.514 19751 11676 1 19 . 1 1 34 34 ARG H H 34 8.652 8.652 8.867 -0.215 19751 11677 1 19 . 1 1 35 35 SER N N 35 116.881 116.881 120.635 -3.754 19751 11678 1 19 . 1 1 35 35 SER HA H 35 4.543 4.543 4.591 -0.048 19751 11679 1 19 . 1 1 35 35 SER CA C 35 58.440 58.440 58.245 0.195 19751 11680 1 19 . 1 1 35 35 SER CB C 35 64.094 64.094 64.053 0.041 19751 11681 1 19 . 1 1 35 35 SER H H 35 8.359 8.359 8.633 -0.274 19751 11682 1 19 . 1 1 36 36 LEU N N 36 124.595 124.595 126.718 -2.123 19751 11683 1 19 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.695 -0.322 19751 11684 1 19 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.727 -0.133 19751 11685 1 19 . 1 1 36 36 LEU CB C 36 42.278 42.278 42.922 -0.644 19751 11686 1 19 . 1 1 36 36 LEU H H 36 8.546 8.546 8.354 0.192 19751 11687 1 19 . 1 1 37 37 ASP N N 37 119.422 119.422 124.272 -4.850 19751 11688 1 19 . 1 1 37 37 ASP HA H 37 4.592 4.592 4.836 -0.244 19751 11689 1 19 . 1 1 37 37 ASP CA C 37 54.308 54.308 54.275 0.033 19751 11690 1 19 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.542 -1.360 19751 11691 1 19 . 1 1 37 37 ASP H H 37 8.186 8.186 8.388 -0.202 19751 11692 1 19 . 1 1 38 38 SER N N 38 116.413 116.413 117.227 -0.814 19751 11693 1 19 . 1 1 38 38 SER HA H 38 4.450 4.450 4.752 -0.302 19751 11694 1 19 . 1 1 38 38 SER CA C 38 58.499 58.499 57.571 0.928 19751 11695 1 19 . 1 1 38 38 SER CB C 38 63.818 63.818 65.014 -1.196 19751 11696 1 19 . 1 1 38 38 SER H H 38 8.177 8.177 8.432 -0.255 19751 11697 1 19 . 1 1 39 39 LYS N N 39 123.095 123.095 124.255 -1.160 19751 11698 1 19 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.814 -0.477 19751 11699 1 19 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.723 0.956 19751 11700 1 19 . 1 1 39 39 LYS CB C 39 32.232 32.232 34.855 -2.623 19751 11701 1 19 . 1 1 39 39 LYS H H 39 8.379 8.379 8.552 -0.173 19751 11702 1 19 . 1 1 40 40 VAL N N 40 122.475 122.475 123.469 -0.994 19751 11703 1 19 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.306 0.082 19751 11704 1 19 . 1 1 40 40 VAL CA C 40 60.161 60.161 61.103 -0.942 19751 11705 1 19 . 1 1 40 40 VAL CB C 40 32.615 32.615 33.605 -0.990 19751 11706 1 19 . 1 1 40 40 VAL H H 40 8.069 8.069 8.510 -0.441 19751 11707 1 19 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.550 -0.129 19751 11708 1 19 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.069 -0.311 19751 11709 1 19 . 1 1 41 41 PRO CB C 41 32.307 32.307 31.516 0.791 19751 11710 1 19 . 1 1 42 42 GLN N N 42 121.230 121.230 120.205 1.025 19751 11711 1 19 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.471 -0.192 19751 11712 1 19 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.838 0.190 19751 11713 1 19 . 1 1 42 42 GLN CB C 42 29.719 29.719 29.224 0.495 19751 11714 1 19 . 1 1 42 42 GLN H H 42 8.482 8.482 8.431 0.051 19751 11715 1 19 . 1 1 43 43 GLN N N 43 121.831 121.831 123.126 -1.295 19751 11716 1 19 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.604 -0.215 19751 11717 1 19 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.700 0.224 19751 11718 1 19 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.109 -0.580 19751 11719 1 19 . 1 1 43 43 GLN H H 43 8.506 8.506 8.934 -0.428 19751 11720 1 19 . 1 1 44 44 THR N N 44 116.251 116.251 118.264 -2.013 19751 11721 1 19 . 1 1 44 44 THR HA H 44 4.302 4.302 4.770 -0.468 19751 11722 1 19 . 1 1 44 44 THR CA C 44 61.922 61.922 61.735 0.187 19751 11723 1 19 . 1 1 44 44 THR CB C 44 69.811 69.811 69.443 0.368 19751 11724 1 19 . 1 1 44 44 THR H H 44 8.231 8.231 8.615 -0.384 19751 11725 1 19 . 1 1 45 45 LEU N N 45 125.046 125.046 121.007 4.039 19751 11726 1 19 . 1 1 45 45 LEU HA H 45 4.498 4.498 5.222 -0.724 19751 11727 1 19 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.067 1.040 19751 11728 1 19 . 1 1 45 45 LEU CB C 45 42.812 42.812 44.540 -1.728 19751 11729 1 19 . 1 1 45 45 LEU H H 45 8.257 8.257 8.609 -0.352 19751 11730 1 19 . 1 1 46 46 ARG N N 46 120.522 120.522 122.002 -1.480 19751 11731 1 19 . 1 1 46 46 ARG HA H 46 4.233 4.233 5.087 -0.854 19751 11732 1 19 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.650 0.814 19751 11733 1 19 . 1 1 46 46 ARG CB C 46 29.971 29.971 32.711 -2.740 19751 11734 1 19 . 1 1 46 46 ARG H H 46 8.007 8.007 9.143 -1.136 19751 11735 1 19 . 1 1 47 47 ARG N N 47 121.010 121.010 121.122 -0.112 19751 11736 1 19 . 1 1 47 47 ARG H H 47 8.324 8.324 8.988 -0.664 19751 11737 1 19 . 1 1 48 48 GLY CA C 48 45.340 45.340 45.131 0.209 19751 11738 1 19 . 1 1 49 49 ASP N N 49 120.513 120.513 120.955 -0.442 19751 11739 1 19 . 1 1 49 49 ASP HA H 49 4.619 4.619 5.029 -0.410 19751 11740 1 19 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.811 0.519 19751 11741 1 19 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.326 -1.163 19751 11742 1 19 . 1 1 49 49 ASP H H 49 8.225 8.225 8.836 -0.611 19751 11743 1 19 . 1 1 50 50 VAL N N 50 119.718 119.718 121.299 -1.581 19751 11744 1 19 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.544 -0.472 19751 11745 1 19 . 1 1 50 50 VAL CA C 50 62.402 62.402 62.219 0.183 19751 11746 1 19 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.635 -0.841 19751 11747 1 19 . 1 1 50 50 VAL H H 50 8.024 8.024 8.284 -0.260 19751 11748 1 19 . 1 1 51 51 LEU N N 51 125.249 125.249 123.147 2.102 19751 11749 1 19 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.751 -0.405 19751 11750 1 19 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.707 0.663 19751 11751 1 19 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.099 -0.720 19751 11752 1 19 . 1 1 51 51 LEU H H 51 8.305 8.305 8.090 0.215 19751 11753 1 19 . 1 1 52 52 MET HA H 52 4.458 4.458 4.742 -0.284 19751 11754 1 19 . 1 1 52 52 MET CA C 52 55.417 55.417 55.904 -0.487 19751 11755 1 19 . 1 1 52 52 MET CB C 52 32.264 32.264 34.171 -1.907 19751 11756 1 19 . 1 1 53 53 GLN N N 53 121.447 121.447 123.975 -2.528 19751 11757 1 19 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.584 -0.277 19751 11758 1 19 . 1 1 53 53 GLN CA C 53 56.214 56.214 56.940 -0.726 19751 11759 1 19 . 1 1 53 53 GLN CB C 53 29.697 29.697 29.941 -0.244 19751 11760 1 19 . 1 1 53 53 GLN H H 53 8.373 8.373 8.739 -0.366 19751 11761 1 19 . 1 1 54 54 GLY N N 54 110.484 110.484 111.396 -0.912 19751 11762 1 19 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.076 0.174 19751 11763 1 19 . 1 1 54 54 GLY H H 54 8.456 8.456 8.532 -0.076 19751 11764 1 19 . 1 1 55 55 ALA N N 55 123.673 123.673 123.261 0.412 19751 11765 1 19 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.590 -0.283 19751 11766 1 19 . 1 1 55 55 ALA C C 55 177.397 177.397 175.924 1.473 19751 11767 1 19 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.102 0.515 19751 11768 1 19 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.023 -0.715 19751 11769 1 19 . 1 1 55 55 ALA H H 55 8.113 8.113 8.247 -0.134 19751 11770 1 19 . 1 1 56 56 ALA N N 56 123.295 123.295 124.740 -1.445 19751 11771 1 19 . 1 1 56 56 ALA HA H 56 4.303 4.303 5.255 -0.952 19751 11772 1 19 . 1 1 56 56 ALA C C 56 177.446 177.446 176.221 1.225 19751 11773 1 19 . 1 1 56 56 ALA CA C 56 52.433 52.433 51.906 0.527 19751 11774 1 19 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.611 -1.303 19751 11775 1 19 . 1 1 56 56 ALA H H 56 8.297 8.297 9.188 -0.891 19751 11776 1 19 . 1 1 57 57 SER N N 57 116.534 116.534 115.570 0.964 19751 11777 1 19 . 1 1 57 57 SER HA H 57 4.737 4.737 4.752 -0.015 19751 11778 1 19 . 1 1 57 57 SER CA C 57 56.332 56.332 57.952 -1.620 19751 11779 1 19 . 1 1 57 57 SER CB C 57 63.567 63.567 63.319 0.248 19751 11780 1 19 . 1 1 57 57 SER H H 57 8.258 8.258 8.722 -0.464 19751 11781 1 19 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.754 -0.352 19751 11782 1 19 . 1 1 58 58 PRO C C 58 176.874 176.874 175.417 1.457 19751 11783 1 19 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.206 0.151 19751 11784 1 19 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.639 -0.605 19751 11785 1 19 . 1 1 59 59 GLU N N 59 120.545 120.545 120.525 0.020 19751 11786 1 19 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.898 -0.662 19751 11787 1 19 . 1 1 59 59 GLU C C 59 176.383 176.383 174.715 1.668 19751 11788 1 19 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.233 1.342 19751 11789 1 19 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.720 -1.617 19751 11790 1 19 . 1 1 59 59 GLU H H 59 8.556 8.556 8.579 -0.023 19751 11791 1 19 . 1 1 60 60 LEU N N 60 122.946 122.946 119.488 3.458 19751 11792 1 19 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.578 -0.134 19751 11793 1 19 . 1 1 60 60 LEU C C 60 177.201 177.201 174.728 2.473 19751 11794 1 19 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.544 0.576 19751 11795 1 19 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.474 -1.187 19751 11796 1 19 . 1 1 60 60 LEU H H 60 8.205 8.205 8.320 -0.115 19751 11797 1 19 . 1 1 61 61 THR N N 61 115.168 115.168 116.261 -1.093 19751 11798 1 19 . 1 1 61 61 THR HA H 61 4.380 4.380 4.695 -0.315 19751 11799 1 19 . 1 1 61 61 THR C C 61 174.201 174.201 173.372 0.829 19751 11800 1 19 . 1 1 61 61 THR CA C 61 61.792 61.792 62.388 -0.596 19751 11801 1 19 . 1 1 61 61 THR CB C 61 69.770 69.770 69.786 -0.016 19751 11802 1 19 . 1 1 61 61 THR H H 61 8.149 8.149 8.230 -0.081 19751 11803 1 19 . 1 1 62 62 VAL N N 62 121.650 121.650 124.998 -3.348 19751 11804 1 19 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.312 0.007 19751 11805 1 19 . 1 1 62 62 VAL C C 62 175.921 175.921 174.438 1.483 19751 11806 1 19 . 1 1 62 62 VAL CA C 62 61.709 61.709 61.825 -0.116 19751 11807 1 19 . 1 1 62 62 VAL CB C 62 33.355 33.355 33.800 -0.445 19751 11808 1 19 . 1 1 62 62 VAL H H 62 8.091 8.091 8.350 -0.259 19751 11809 1 19 . 1 1 63 63 SER N N 63 120.076 120.076 120.627 -0.551 19751 11810 1 19 . 1 1 63 63 SER HA H 63 4.542 4.542 4.645 -0.103 19751 11811 1 19 . 1 1 63 63 SER C C 63 174.254 174.254 173.226 1.028 19751 11812 1 19 . 1 1 63 63 SER CA C 63 58.375 58.375 58.091 0.284 19751 11813 1 19 . 1 1 63 63 SER CB C 63 64.196 64.196 64.739 -0.543 19751 11814 1 19 . 1 1 63 63 SER H H 63 8.524 8.524 8.553 -0.029 19751 11815 1 19 . 1 1 64 64 GLY N N 64 109.912 109.912 111.350 -1.438 19751 11816 1 19 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.983 -0.599 19751 11817 1 19 . 1 1 64 64 GLY H H 64 8.255 8.255 8.451 -0.196 19751 11818 1 19 . 1 1 65 65 THR N N 65 114.200 114.200 115.822 -1.622 19751 11819 1 19 . 1 1 65 65 THR HA H 65 4.929 4.929 5.068 -0.139 19751 11820 1 19 . 1 1 65 65 THR CA C 65 60.826 60.826 61.645 -0.819 19751 11821 1 19 . 1 1 65 65 THR CB C 65 71.805 71.805 72.398 -0.593 19751 11822 1 19 . 1 1 65 65 THR H H 65 8.468 8.468 8.019 0.449 19751 11823 1 19 . 1 1 66 66 LEU N N 66 122.673 122.673 123.703 -1.030 19751 11824 1 19 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.828 0.093 19751 11825 1 19 . 1 1 66 66 LEU C C 66 174.364 174.364 174.777 -0.413 19751 11826 1 19 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.555 -1.145 19751 11827 1 19 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.529 -1.079 19751 11828 1 19 . 1 1 66 66 LEU H H 66 9.054 9.054 8.850 0.204 19751 11829 1 19 . 1 1 67 67 LEU N N 67 124.219 124.219 126.660 -2.441 19751 11830 1 19 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.711 0.497 19751 11831 1 19 . 1 1 67 67 LEU C C 67 177.107 177.107 176.044 1.063 19751 11832 1 19 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.654 -0.881 19751 11833 1 19 . 1 1 67 67 LEU CB C 67 42.206 42.206 40.730 1.476 19751 11834 1 19 . 1 1 67 67 LEU H H 67 8.927 8.927 9.063 -0.136 19751 11835 1 19 . 1 1 68 68 VAL N N 68 121.113 121.113 125.282 -4.169 19751 11836 1 19 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.268 0.589 19751 11837 1 19 . 1 1 68 68 VAL C C 68 174.079 174.079 174.238 -0.159 19751 11838 1 19 . 1 1 68 68 VAL CA C 68 59.858 59.858 59.913 -0.056 19751 11839 1 19 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.431 0.584 19751 11840 1 19 . 1 1 68 68 VAL H H 68 9.345 9.345 8.924 0.421 19751 11841 1 19 . 1 1 69 69 GLU N N 69 127.682 127.682 130.512 -2.830 19751 11842 1 19 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.744 0.155 19751 11843 1 19 . 1 1 69 69 GLU C C 69 173.485 173.485 174.882 -1.397 19751 11844 1 19 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.380 -1.033 19751 11845 1 19 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.993 -0.022 19751 11846 1 19 . 1 1 69 69 GLU H H 69 8.110 8.110 8.610 -0.500 19751 11847 1 19 . 1 1 70 70 ALA N N 70 130.042 130.042 127.838 2.204 19751 11848 1 19 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.547 0.017 19751 11849 1 19 . 1 1 70 70 ALA C C 70 174.853 174.853 175.644 -0.791 19751 11850 1 19 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.487 0.217 19751 11851 1 19 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.253 0.178 19751 11852 1 19 . 1 1 70 70 ALA H H 70 7.991 7.991 7.633 0.358 19751 11853 1 19 . 1 1 71 71 ASP N N 71 117.021 117.021 120.350 -3.329 19751 11854 1 19 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.681 -0.101 19751 11855 1 19 . 1 1 71 71 ASP C C 71 175.160 175.160 176.700 -1.540 19751 11856 1 19 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.699 -0.656 19751 11857 1 19 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.898 -1.976 19751 11858 1 19 . 1 1 71 71 ASP H H 71 8.025 8.025 8.526 -0.501 19751 11859 1 19 . 1 1 72 72 ASP N N 72 119.867 119.867 121.075 -1.208 19751 11860 1 19 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.562 0.561 19751 11861 1 19 . 1 1 72 72 ASP C C 72 177.598 177.598 177.306 0.292 19751 11862 1 19 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.229 1.228 19751 11863 1 19 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.823 -0.834 19751 11864 1 19 . 1 1 72 72 ASP H H 72 8.644 8.644 8.719 -0.075 19751 11865 1 19 . 1 1 73 73 ALA N N 73 120.735 120.735 119.840 0.895 19751 11866 1 19 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.045 -0.093 19751 11867 1 19 . 1 1 73 73 ALA C C 73 181.711 181.711 179.910 1.801 19751 11868 1 19 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.751 0.606 19751 11869 1 19 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.310 -0.489 19751 11870 1 19 . 1 1 73 73 ALA H H 73 8.212 8.212 8.446 -0.234 19751 11871 1 19 . 1 1 74 74 SER N N 74 116.971 116.971 114.377 2.594 19751 11872 1 19 . 1 1 74 74 SER HA H 74 4.207 4.207 4.199 0.008 19751 11873 1 19 . 1 1 74 74 SER C C 74 176.918 176.918 176.254 0.664 19751 11874 1 19 . 1 1 74 74 SER CA C 74 61.632 61.632 60.553 1.079 19751 11875 1 19 . 1 1 74 74 SER CB C 74 62.233 62.233 63.313 -1.080 19751 11876 1 19 . 1 1 74 74 SER H H 74 8.376 8.376 7.524 0.852 19751 11877 1 19 . 1 1 75 75 ALA N N 75 124.844 124.844 125.417 -0.573 19751 11878 1 19 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.794 0.028 19751 11879 1 19 . 1 1 75 75 ALA C C 75 179.160 179.160 178.956 0.204 19751 11880 1 19 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.245 0.056 19751 11881 1 19 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.755 0.757 19751 11882 1 19 . 1 1 75 75 ALA H H 75 9.121 9.121 7.817 1.304 19751 11883 1 19 . 1 1 76 76 LYS N N 76 117.821 117.821 118.048 -0.227 19751 11884 1 19 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.987 -0.182 19751 11885 1 19 . 1 1 76 76 LYS C C 76 179.175 179.175 178.632 0.543 19751 11886 1 19 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.360 0.778 19751 11887 1 19 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.799 0.562 19751 11888 1 19 . 1 1 76 76 LYS H H 76 8.306 8.306 7.961 0.345 19751 11889 1 19 . 1 1 77 77 ALA N N 77 122.703 122.703 121.062 1.641 19751 11890 1 19 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.143 0.047 19751 11891 1 19 . 1 1 77 77 ALA C C 77 180.868 180.868 179.696 1.172 19751 11892 1 19 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.647 0.505 19751 11893 1 19 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.270 -0.438 19751 11894 1 19 . 1 1 77 77 ALA H H 77 7.584 7.584 7.579 0.005 19751 11895 1 19 . 1 1 78 78 LEU N N 78 120.574 120.574 118.766 1.808 19751 11896 1 19 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.124 -0.088 19751 11897 1 19 . 1 1 78 78 LEU C C 78 178.870 178.870 179.116 -0.246 19751 11898 1 19 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.923 0.965 19751 11899 1 19 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.992 0.487 19751 11900 1 19 . 1 1 78 78 LEU H H 78 8.338 8.338 7.783 0.555 19751 11901 1 19 . 1 1 79 79 ALA N N 79 121.156 121.156 121.657 -0.501 19751 11902 1 19 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.134 -0.239 19751 11903 1 19 . 1 1 79 79 ALA C C 79 179.393 179.393 179.002 0.391 19751 11904 1 19 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.249 0.511 19751 11905 1 19 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.417 -1.161 19751 11906 1 19 . 1 1 79 79 ALA H H 79 8.491 8.491 8.697 -0.206 19751 11907 1 19 . 1 1 80 80 THR N N 80 114.097 114.097 112.274 1.823 19751 11908 1 19 . 1 1 80 80 THR HA H 80 4.048 4.048 4.260 -0.212 19751 11909 1 19 . 1 1 80 80 THR C C 80 177.034 177.034 176.282 0.752 19751 11910 1 19 . 1 1 80 80 THR CA C 80 66.139 66.139 65.800 0.339 19751 11911 1 19 . 1 1 80 80 THR CB C 80 69.243 69.243 69.007 0.236 19751 11912 1 19 . 1 1 80 80 THR H H 80 8.111 8.111 7.789 0.322 19751 11913 1 19 . 1 1 81 81 ARG N N 81 121.321 121.321 120.792 0.529 19751 11914 1 19 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.126 -0.183 19751 11915 1 19 . 1 1 81 81 ARG C C 81 177.546 177.546 177.571 -0.025 19751 11916 1 19 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.479 0.561 19751 11917 1 19 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.446 0.277 19751 11918 1 19 . 1 1 81 81 ARG H H 81 7.893 7.893 7.537 0.355 19751 11919 1 19 . 1 1 82 82 HIS N N 82 113.320 113.320 114.209 -0.889 19751 11920 1 19 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.584 0.125 19751 11921 1 19 . 1 1 82 82 HIS C C 82 174.918 174.918 176.076 -1.158 19751 11922 1 19 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.449 -1.287 19751 11923 1 19 . 1 1 82 82 HIS CB C 82 31.508 31.508 31.088 0.420 19751 11924 1 19 . 1 1 82 82 HIS H H 82 7.684 7.684 8.070 -0.386 19751 11925 1 19 . 1 1 83 83 GLY N N 83 109.763 109.763 106.051 3.712 19751 11926 1 19 . 1 1 83 83 GLY C C 83 174.866 174.866 174.129 0.737 19751 11927 1 19 . 1 1 83 83 GLY CA C 83 47.277 47.277 45.071 2.207 19751 11928 1 19 . 1 1 83 83 GLY H H 83 7.707 7.707 7.669 0.038 19751 11929 1 19 . 1 1 84 84 LEU N N 84 119.225 119.225 119.145 0.080 19751 11930 1 19 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.534 0.300 19751 11931 1 19 . 1 1 84 84 LEU C C 84 174.880 174.880 176.338 -1.458 19751 11932 1 19 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.093 -1.224 19751 11933 1 19 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.766 2.317 19751 11934 1 19 . 1 1 84 84 LEU H H 84 8.672 8.672 7.306 1.366 19751 11935 1 19 . 1 1 85 85 ASN N N 85 117.042 117.042 116.952 0.090 19751 11936 1 19 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.887 0.281 19751 11937 1 19 . 1 1 85 85 ASN C C 85 175.212 175.212 173.972 1.240 19751 11938 1 19 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.460 -0.602 19751 11939 1 19 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.835 0.047 19751 11940 1 19 . 1 1 85 85 ASN H H 85 8.955 8.955 8.436 0.519 19751 11941 1 19 . 1 1 86 86 PHE N N 86 126.957 126.957 127.054 -0.097 19751 11942 1 19 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.527 -0.086 19751 11943 1 19 . 1 1 86 86 PHE C C 86 173.744 173.744 174.916 -1.172 19751 11944 1 19 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.739 0.867 19751 11945 1 19 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.755 0.309 19751 11946 1 19 . 1 1 86 86 PHE H H 86 9.221 9.221 8.953 0.268 19751 11947 1 19 . 1 1 87 87 LYS N N 87 129.305 129.305 127.846 1.459 19751 11948 1 19 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.156 0.195 19751 11949 1 19 . 1 1 87 87 LYS C C 87 175.203 175.203 175.361 -0.158 19751 11950 1 19 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.986 -0.289 19751 11951 1 19 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.591 -0.017 19751 11952 1 19 . 1 1 87 87 LYS H H 87 8.397 8.397 8.780 -0.383 19751 11953 1 19 . 1 1 88 88 GLN N N 88 110.785 110.785 115.320 -4.535 19751 11954 1 19 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.392 -0.001 19751 11955 1 19 . 1 1 88 88 GLN C C 88 185.308 185.308 173.731 11.577 19751 11956 1 19 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.556 0.196 19751 11957 1 19 . 1 1 88 88 GLN H H 88 6.855 6.855 7.835 -0.980 19751 11958 1 19 . 1 1 89 89 SER N N 89 113.927 113.927 114.428 -0.501 19751 11959 1 19 . 1 1 89 89 SER HA H 89 5.298 5.298 5.330 -0.032 19751 11960 1 19 . 1 1 89 89 SER C C 89 173.757 173.757 174.792 -1.035 19751 11961 1 19 . 1 1 89 89 SER CA C 89 56.776 56.776 57.292 -0.516 19751 11962 1 19 . 1 1 89 89 SER CB C 89 67.417 67.417 66.644 0.772 19751 11963 1 19 . 1 1 89 89 SER H H 89 8.718 8.718 8.462 0.256 19751 11964 1 19 . 1 1 90 90 SER N N 90 114.246 114.246 119.710 -5.464 19751 11965 1 19 . 1 1 90 90 SER HA H 90 4.597 4.597 4.582 0.015 19751 11966 1 19 . 1 1 90 90 SER CA C 90 58.356 58.356 58.043 0.313 19751 11967 1 19 . 1 1 90 90 SER CB C 90 63.952 63.952 62.540 1.412 19751 11968 1 19 . 1 1 90 90 SER H H 90 8.479 8.479 8.633 -0.154 19751 11969 1 19 . 1 1 91 91 GLY N N 91 116.101 116.101 112.396 3.705 19751 11970 1 19 . 1 1 91 91 GLY C C 91 174.853 174.853 174.496 0.357 19751 11971 1 19 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.577 1.578 19751 11972 1 19 . 1 1 91 91 GLY H H 91 8.490 8.490 8.110 0.380 19751 11973 1 19 . 1 1 92 92 GLY N N 92 107.199 107.199 108.699 -1.500 19751 11974 1 19 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.180 -0.514 19751 11975 1 19 . 1 1 92 92 GLY H H 92 8.914 8.914 7.825 1.089 19751 11976 1 19 . 1 1 93 93 ILE N N 93 118.958 118.958 117.354 1.604 19751 11977 1 19 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.878 -0.140 19751 11978 1 19 . 1 1 93 93 ILE C C 93 175.050 175.050 173.903 1.147 19751 11979 1 19 . 1 1 93 93 ILE CA C 93 58.535 58.535 58.189 0.346 19751 11980 1 19 . 1 1 93 93 ILE CB C 93 38.109 38.109 38.666 -0.557 19751 11981 1 19 . 1 1 93 93 ILE H H 93 7.540 7.540 7.692 -0.152 19751 11982 1 19 . 1 1 94 94 ALA N N 94 131.032 131.032 129.936 1.096 19751 11983 1 19 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.014 -0.286 19751 11984 1 19 . 1 1 94 94 ALA C C 94 174.512 174.512 177.263 -2.751 19751 11985 1 19 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.683 -0.245 19751 11986 1 19 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.488 2.324 19751 11987 1 19 . 1 1 94 94 ALA H H 94 9.561 9.561 9.118 0.443 19751 11988 1 19 . 1 1 95 95 LEU N N 95 123.066 123.066 124.947 -1.881 19751 11989 1 19 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.661 0.302 19751 11990 1 19 . 1 1 95 95 LEU C C 95 174.922 174.922 175.556 -0.634 19751 11991 1 19 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.207 0.308 19751 11992 1 19 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.580 2.625 19751 11993 1 19 . 1 1 95 95 LEU H H 95 8.641 8.641 8.614 0.027 19751 11994 1 19 . 1 1 96 96 LEU N N 96 124.843 124.843 124.609 0.234 19751 11995 1 19 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.960 0.211 19751 11996 1 19 . 1 1 96 96 LEU C C 96 175.059 175.059 177.181 -2.122 19751 11997 1 19 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.782 -1.143 19751 11998 1 19 . 1 1 96 96 LEU CB C 96 44.269 44.269 42.932 1.337 19751 11999 1 19 . 1 1 96 96 LEU H H 96 9.235 9.235 8.165 1.070 19751 12000 1 19 . 1 1 97 97 GLU N N 97 121.306 121.306 120.875 0.431 19751 12001 1 19 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.626 0.233 19751 12002 1 19 . 1 1 97 97 GLU C C 97 175.343 175.343 175.534 -0.191 19751 12003 1 19 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.715 0.376 19751 12004 1 19 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.755 2.660 19751 12005 1 19 . 1 1 97 97 GLU H H 97 9.113 9.113 8.528 0.585 19751 12006 1 19 . 1 1 98 98 ALA N N 98 126.658 126.658 127.617 -0.959 19751 12007 1 19 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.317 0.457 19751 12008 1 19 . 1 1 98 98 ALA C C 98 176.880 176.880 176.590 0.290 19751 12009 1 19 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.611 -1.016 19751 12010 1 19 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.769 1.614 19751 12011 1 19 . 1 1 98 98 ALA H H 98 8.731 8.731 8.529 0.202 19751 12012 1 19 . 1 1 99 99 LYS N N 99 121.674 121.674 123.320 -1.646 19751 12013 1 19 . 1 1 99 99 LYS H H 99 8.636 8.636 8.280 0.356 19751 12014 1 19 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.204 0.258 19751 12015 1 19 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.351 0.137 19751 12016 1 19 . 1 1 100 100 PRO CB C 100 32.186 32.186 31.022 1.164 19751 12017 1 19 . 1 1 101 101 GLY N N 101 110.695 110.695 114.677 -3.982 19751 12018 1 19 . 1 1 101 101 GLY C C 101 174.676 174.676 174.537 0.139 19751 12019 1 19 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.884 0.299 19751 12020 1 19 . 1 1 101 101 GLY H H 101 8.709 8.709 8.598 0.111 19751 12021 1 19 . 1 1 102 102 THR N N 102 116.771 116.771 118.668 -1.897 19751 12022 1 19 . 1 1 102 102 THR HA H 102 4.134 4.134 4.441 -0.307 19751 12023 1 19 . 1 1 102 102 THR CA C 102 62.998 62.998 62.738 0.260 19751 12024 1 19 . 1 1 102 102 THR CB C 102 69.736 69.736 69.920 -0.184 19751 12025 1 19 . 1 1 102 102 THR H H 102 7.652 7.652 7.599 0.053 19751 12026 1 19 . 1 1 103 103 ASP N N 103 125.950 125.950 127.222 -1.272 19751 12027 1 19 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.737 -0.033 19751 12028 1 19 . 1 1 103 103 ASP C C 103 175.907 175.907 177.267 -1.360 19751 12029 1 19 . 1 1 103 103 ASP CA C 103 52.747 52.747 54.300 -1.554 19751 12030 1 19 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.146 0.841 19751 12031 1 19 . 1 1 103 103 ASP H H 103 8.849 8.849 8.823 0.026 19751 12032 1 19 . 1 1 104 104 LEU N N 104 127.195 127.195 121.081 6.114 19751 12033 1 19 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.894 -0.023 19751 12034 1 19 . 1 1 104 104 LEU C C 104 178.528 178.528 177.798 0.730 19751 12035 1 19 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.671 -1.243 19751 12036 1 19 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.528 0.654 19751 12037 1 19 . 1 1 104 104 LEU H H 104 8.464 8.464 7.474 0.990 19751 12038 1 19 . 1 1 105 105 ASN N N 105 116.748 116.748 117.198 -0.450 19751 12039 1 19 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.317 0.020 19751 12040 1 19 . 1 1 105 105 ASN C C 105 177.999 177.999 177.064 0.935 19751 12041 1 19 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.907 -0.365 19751 12042 1 19 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.698 0.527 19751 12043 1 19 . 1 1 105 105 ASN H H 105 8.225 8.225 8.473 -0.248 19751 12044 1 19 . 1 1 106 106 ALA N N 106 123.704 123.704 121.138 2.566 19751 12045 1 19 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.184 -0.098 19751 12046 1 19 . 1 1 106 106 ALA C C 106 181.021 181.021 178.501 2.520 19751 12047 1 19 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.118 0.766 19751 12048 1 19 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.568 -0.585 19751 12049 1 19 . 1 1 106 106 ALA H H 106 7.810 7.810 7.501 0.309 19751 12050 1 19 . 1 1 107 107 ILE N N 107 118.676 118.676 119.122 -0.446 19751 12051 1 19 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.587 0.067 19751 12052 1 19 . 1 1 107 107 ILE C C 107 177.324 177.324 178.086 -0.762 19751 12053 1 19 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.119 -0.284 19751 12054 1 19 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.509 0.098 19751 12055 1 19 . 1 1 107 107 ILE H H 107 7.582 7.582 7.126 0.456 19751 12056 1 19 . 1 1 108 108 ALA N N 108 122.550 122.550 122.516 0.034 19751 12057 1 19 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.862 -0.061 19751 12058 1 19 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.210 0.868 19751 12059 1 19 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.852 0.085 19751 12060 1 19 . 1 1 108 108 ALA H H 108 8.551 8.551 7.812 0.739 19751 12061 1 19 . 1 1 109 109 THR N N 109 113.975 113.975 112.822 1.153 19751 12062 1 19 . 1 1 109 109 THR HA H 109 3.806 3.806 4.010 -0.204 19751 12063 1 19 . 1 1 109 109 THR C C 109 176.632 176.632 176.524 0.108 19751 12064 1 19 . 1 1 109 109 THR CA C 109 67.362 67.362 66.534 0.827 19751 12065 1 19 . 1 1 109 109 THR CB C 109 68.554 68.554 68.457 0.098 19751 12066 1 19 . 1 1 109 109 THR H H 109 8.197 8.197 7.708 0.489 19751 12067 1 19 . 1 1 110 110 LYS N N 110 123.603 123.603 120.406 3.197 19751 12068 1 19 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.259 -0.182 19751 12069 1 19 . 1 1 110 110 LYS C C 110 179.640 179.640 177.580 2.060 19751 12070 1 19 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.701 1.664 19751 12071 1 19 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.142 -0.071 19751 12072 1 19 . 1 1 110 110 LYS H H 110 7.656 7.656 8.038 -0.382 19751 12073 1 19 . 1 1 111 111 LEU N N 111 120.492 120.492 119.040 1.452 19751 12074 1 19 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.219 -0.362 19751 12075 1 19 . 1 1 111 111 LEU C C 111 179.289 179.289 178.950 0.339 19751 12076 1 19 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.698 0.417 19751 12077 1 19 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.782 -0.667 19751 12078 1 19 . 1 1 111 111 LEU H H 111 8.441 8.441 7.201 1.240 19751 12079 1 19 . 1 1 112 112 LYS N N 112 120.305 120.305 118.359 1.946 19751 12080 1 19 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.208 0.233 19751 12081 1 19 . 1 1 112 112 LYS C C 112 181.574 181.574 178.753 2.821 19751 12082 1 19 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.929 0.682 19751 12083 1 19 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.990 0.303 19751 12084 1 19 . 1 1 112 112 LYS H H 112 8.452 8.452 8.271 0.181 19751 12085 1 19 . 1 1 113 113 SER N N 113 116.992 116.992 114.084 2.908 19751 12086 1 19 . 1 1 113 113 SER HA H 113 4.389 4.389 4.256 0.133 19751 12087 1 19 . 1 1 113 113 SER C C 113 175.200 175.200 175.869 -0.669 19751 12088 1 19 . 1 1 113 113 SER CA C 113 61.260 61.260 60.613 0.647 19751 12089 1 19 . 1 1 113 113 SER CB C 113 62.863 62.863 63.037 -0.174 19751 12090 1 19 . 1 1 113 113 SER H H 113 7.995 7.995 7.794 0.201 19751 12091 1 19 . 1 1 114 114 GLU N N 114 120.677 120.677 118.898 1.779 19751 12092 1 19 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.381 0.050 19751 12093 1 19 . 1 1 114 114 GLU C C 114 176.506 176.506 176.903 -0.397 19751 12094 1 19 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.508 -0.196 19751 12095 1 19 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.989 -1.592 19751 12096 1 19 . 1 1 114 114 GLU H H 114 7.577 7.577 7.908 -0.331 19751 12097 1 19 . 1 1 115 115 GLY N N 115 107.383 107.383 107.801 -0.418 19751 12098 1 19 . 1 1 115 115 GLY C C 115 174.019 174.019 173.545 0.474 19751 12099 1 19 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.782 0.716 19751 12100 1 19 . 1 1 115 115 GLY H H 115 7.947 7.947 7.720 0.227 19751 12101 1 19 . 1 1 116 116 VAL N N 116 121.389 121.389 120.241 1.148 19751 12102 1 19 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.186 -0.054 19751 12103 1 19 . 1 1 116 116 VAL C C 116 175.092 175.092 174.698 0.394 19751 12104 1 19 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.379 0.698 19751 12105 1 19 . 1 1 116 116 VAL CB C 116 33.043 33.043 31.993 1.050 19751 12106 1 19 . 1 1 116 116 VAL H H 116 7.704 7.704 7.473 0.231 19751 12107 1 19 . 1 1 117 117 ASN N N 117 125.670 125.670 127.818 -2.148 19751 12108 1 19 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.759 0.035 19751 12109 1 19 . 1 1 117 117 ASN C C 117 173.847 173.847 174.073 -0.226 19751 12110 1 19 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.102 0.102 19751 12111 1 19 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.460 -0.459 19751 12112 1 19 . 1 1 117 117 ASN H H 117 9.161 9.161 8.516 0.645 19751 12113 1 19 . 1 1 118 118 VAL N N 118 121.648 121.648 119.839 1.809 19751 12114 1 19 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.078 0.195 19751 12115 1 19 . 1 1 118 118 VAL C C 118 173.553 173.553 174.502 -0.949 19751 12116 1 19 . 1 1 118 118 VAL CA C 118 58.505 58.505 58.841 -0.336 19751 12117 1 19 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.123 -0.034 19751 12118 1 19 . 1 1 118 118 VAL H H 118 7.811 7.811 7.761 0.050 19751 12119 1 19 . 1 1 119 119 GLN N N 119 124.298 124.298 120.211 4.087 19751 12120 1 19 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.609 0.044 19751 12121 1 19 . 1 1 119 119 GLN C C 119 174.263 174.263 174.522 -0.259 19751 12122 1 19 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.044 0.199 19751 12123 1 19 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.481 0.045 19751 12124 1 19 . 1 1 119 119 GLN H H 119 8.746 8.746 8.391 0.355 19751 12125 1 19 . 1 1 120 120 ILE N N 120 122.997 122.997 127.023 -4.026 19751 12126 1 19 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.233 0.215 19751 12127 1 19 . 1 1 120 120 ILE C C 120 175.616 175.616 176.006 -0.390 19751 12128 1 19 . 1 1 120 120 ILE CA C 120 60.957 60.957 59.977 0.980 19751 12129 1 19 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.326 3.604 19751 12130 1 19 . 1 1 120 120 ILE H H 120 8.670 8.670 8.663 0.007 19751 12131 1 19 . 1 1 121 121 GLU N N 121 128.460 128.460 127.500 0.960 19751 12132 1 19 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.591 -0.096 19751 12133 1 19 . 1 1 121 121 GLU C C 121 175.490 175.490 174.804 0.686 19751 12134 1 19 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.597 1.052 19751 12135 1 19 . 1 1 121 121 GLU CB C 121 31.190 31.190 33.166 -1.976 19751 12136 1 19 . 1 1 121 121 GLU H H 121 8.641 8.641 8.560 0.081 19751 12137 1 19 . 1 1 122 122 LEU N N 122 126.756 126.756 119.791 6.965 19751 12138 1 19 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.678 -0.099 19751 12139 1 19 . 1 1 122 122 LEU C C 122 177.291 177.291 176.273 1.018 19751 12140 1 19 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.603 0.909 19751 12141 1 19 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.770 -2.348 19751 12142 1 19 . 1 1 122 122 LEU H H 122 8.642 8.642 8.353 0.289 19751 12143 1 19 . 1 1 123 123 SER N N 123 117.273 117.273 117.072 0.201 19751 12144 1 19 . 1 1 123 123 SER HA H 123 4.430 4.430 4.695 -0.265 19751 12145 1 19 . 1 1 123 123 SER C C 123 175.066 175.066 174.389 0.677 19751 12146 1 19 . 1 1 123 123 SER CA C 123 58.499 58.499 57.990 0.509 19751 12147 1 19 . 1 1 123 123 SER CB C 123 63.946 63.946 62.731 1.215 19751 12148 1 19 . 1 1 123 123 SER H H 123 8.496 8.496 9.127 -0.631 19751 12149 1 19 . 1 1 124 124 GLY N N 124 111.280 111.280 109.861 1.419 19751 12150 1 19 . 1 1 124 124 GLY C C 124 174.099 174.099 174.399 -0.300 19751 12151 1 19 . 1 1 124 124 GLY CA C 124 45.379 45.379 45.902 -0.523 19751 12152 1 19 . 1 1 124 124 GLY H H 124 8.566 8.566 8.017 0.549 19751 12153 1 19 . 1 1 125 125 ALA N N 125 123.586 123.586 123.599 -0.013 19751 12154 1 19 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.301 0.006 19751 12155 1 19 . 1 1 125 125 ALA C C 125 177.915 177.915 178.002 -0.087 19751 12156 1 19 . 1 1 125 125 ALA CA C 125 52.617 52.617 53.299 -0.682 19751 12157 1 19 . 1 1 125 125 ALA CB C 125 19.308 19.308 18.571 0.737 19751 12158 1 19 . 1 1 125 125 ALA H H 125 8.158 8.158 8.163 -0.005 19751 12159 1 19 . 1 1 126 126 GLU N N 126 120.076 120.076 118.775 1.301 19751 12160 1 19 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.213 0.138 19751 12161 1 19 . 1 1 126 126 GLU C C 126 176.544 176.544 175.641 0.903 19751 12162 1 19 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.692 1.191 19751 12163 1 19 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.283 0.327 19751 12164 1 19 . 1 1 126 126 GLU H H 126 8.524 8.524 8.348 0.176 19751 12165 1 19 . 1 1 127 127 GLN N N 127 121.453 121.453 117.050 4.403 19751 12166 1 19 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.505 -0.198 19751 12167 1 19 . 1 1 127 127 GLN C C 127 175.691 175.691 174.785 0.906 19751 12168 1 19 . 1 1 127 127 GLN CA C 127 55.580 55.580 54.880 0.700 19751 12169 1 19 . 1 1 127 127 GLN CB C 127 29.703 29.703 30.032 -0.329 19751 12170 1 19 . 1 1 127 127 GLN H H 127 8.356 8.356 8.092 0.264 19751 12171 1 19 . 1 1 128 128 GLN N N 128 122.570 122.570 120.495 2.075 19751 12172 1 19 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.693 -0.108 19751 12173 1 19 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.469 0.274 19751 12174 1 19 . 1 1 128 128 GLN CB C 128 28.864 28.864 28.989 -0.125 19751 12175 1 19 . 1 1 128 128 GLN H H 128 8.348 8.348 8.581 -0.233 19751 12176 1 19 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.595 -0.194 19751 12177 1 19 . 1 1 129 129 PRO C C 129 175.988 175.988 177.496 -1.508 19751 12178 1 19 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.440 1.009 19751 12179 1 19 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.452 -0.495 19751 12180 1 20 . 1 1 2 2 GLU N N 2 122.196 122.196 120.939 1.257 19751 12181 1 20 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.869 -0.634 19751 12182 1 20 . 1 1 2 2 GLU C C 2 175.712 175.712 175.591 0.121 19751 12183 1 20 . 1 1 2 2 GLU CA C 2 56.632 56.632 55.877 0.755 19751 12184 1 20 . 1 1 2 2 GLU CB C 2 29.971 29.971 31.366 -1.395 19751 12185 1 20 . 1 1 2 2 GLU H H 2 8.617 8.617 8.707 -0.090 19751 12186 1 20 . 1 1 3 3 SER N N 3 116.623 116.623 115.448 1.175 19751 12187 1 20 . 1 1 3 3 SER HA H 3 4.597 4.597 4.638 -0.041 19751 12188 1 20 . 1 1 3 3 SER C C 3 174.294 174.294 172.545 1.749 19751 12189 1 20 . 1 1 3 3 SER CA C 3 58.386 58.386 57.656 0.730 19751 12190 1 20 . 1 1 3 3 SER CB C 3 64.039 64.039 64.498 -0.459 19751 12191 1 20 . 1 1 3 3 SER H H 3 8.305 8.305 8.366 -0.061 19751 12192 1 20 . 1 1 4 4 VAL N N 4 121.759 121.759 124.306 -2.547 19751 12193 1 20 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.413 -0.104 19751 12194 1 20 . 1 1 4 4 VAL C C 4 176.177 176.177 175.155 1.022 19751 12195 1 20 . 1 1 4 4 VAL CA C 4 61.709 61.709 61.964 -0.255 19751 12196 1 20 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.977 0.378 19751 12197 1 20 . 1 1 4 4 VAL H H 4 8.303 8.303 8.486 -0.183 19751 12198 1 20 . 1 1 5 5 THR N N 5 118.335 118.335 124.128 -5.793 19751 12199 1 20 . 1 1 5 5 THR HA H 5 4.592 4.592 4.581 0.011 19751 12200 1 20 . 1 1 5 5 THR C C 5 173.579 173.579 174.621 -1.042 19751 12201 1 20 . 1 1 5 5 THR CA C 5 62.022 62.022 61.723 0.299 19751 12202 1 20 . 1 1 5 5 THR CB C 5 70.047 70.047 68.460 1.587 19751 12203 1 20 . 1 1 5 5 THR H H 5 8.319 8.319 8.463 -0.144 19751 12204 1 20 . 1 1 6 6 MET N N 6 123.858 123.858 123.473 0.385 19751 12205 1 20 . 1 1 6 6 MET CA C 6 57.260 57.260 56.145 1.115 19751 12206 1 20 . 1 1 6 6 MET CB C 6 33.780 33.780 33.188 0.592 19751 12207 1 20 . 1 1 6 6 MET H H 6 8.035 8.035 8.523 -0.488 19751 12208 1 20 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.968 -0.471 19751 12209 1 20 . 1 1 7 7 ASP CA C 7 55.150 55.150 53.223 1.927 19751 12210 1 20 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.555 -1.291 19751 12211 1 20 . 1 1 8 8 GLY N N 8 114.130 114.130 106.271 7.859 19751 12212 1 20 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.542 1.071 19751 12213 1 20 . 1 1 8 8 GLY H H 8 8.386 8.386 8.215 0.171 19751 12214 1 20 . 1 1 9 9 LYS N N 9 120.803 120.803 119.397 1.406 19751 12215 1 20 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.887 -0.543 19751 12216 1 20 . 1 1 9 9 LYS H H 9 8.021 8.021 8.600 -0.579 19751 12217 1 20 . 1 1 10 10 GLN N N 10 120.522 120.522 119.514 1.008 19751 12218 1 20 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.741 -0.274 19751 12219 1 20 . 1 1 10 10 GLN CA C 10 55.281 55.281 54.990 0.291 19751 12220 1 20 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.559 -0.149 19751 12221 1 20 . 1 1 10 10 GLN H H 10 8.246 8.246 8.860 -0.614 19751 12222 1 20 . 1 1 11 11 TYR N N 11 121.213 121.213 118.268 2.945 19751 12223 1 20 . 1 1 11 11 TYR HA H 11 4.299 4.299 5.429 -1.130 19751 12224 1 20 . 1 1 11 11 TYR CA C 11 56.949 56.949 56.653 0.296 19751 12225 1 20 . 1 1 11 11 TYR CB C 11 43.274 43.274 40.703 2.571 19751 12226 1 20 . 1 1 11 11 TYR H H 11 8.873 8.873 8.200 0.673 19751 12227 1 20 . 1 1 12 12 SER N N 12 117.406 117.406 115.051 2.355 19751 12228 1 20 . 1 1 12 12 SER HA H 12 4.715 4.715 4.760 -0.045 19751 12229 1 20 . 1 1 12 12 SER CA C 12 57.374 57.374 58.098 -0.724 19751 12230 1 20 . 1 1 12 12 SER CB C 12 63.946 63.946 64.390 -0.444 19751 12231 1 20 . 1 1 12 12 SER H H 12 9.047 9.047 8.724 0.323 19751 12232 1 20 . 1 1 13 13 THR N N 13 112.091 112.091 118.755 -6.664 19751 12233 1 20 . 1 1 13 13 THR HA H 13 4.929 4.929 4.847 0.082 19751 12234 1 20 . 1 1 13 13 THR CA C 13 60.716 60.716 61.678 -0.962 19751 12235 1 20 . 1 1 13 13 THR CB C 13 71.808 71.808 69.647 2.161 19751 12236 1 20 . 1 1 13 13 THR H H 13 8.235 8.235 8.249 -0.014 19751 12237 1 20 . 1 1 14 14 ILE N N 14 120.891 120.891 121.694 -0.803 19751 12238 1 20 . 1 1 14 14 ILE H H 14 9.108 9.108 8.109 0.999 19751 12239 1 20 . 1 1 15 15 GLU N N 15 127.598 127.598 123.741 3.857 19751 12240 1 20 . 1 1 15 15 GLU H H 15 8.300 8.300 8.570 -0.270 19751 12241 1 20 . 1 1 16 16 VAL N N 16 126.224 126.224 119.306 6.918 19751 12242 1 20 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.252 0.032 19751 12243 1 20 . 1 1 16 16 VAL CA C 16 61.835 61.835 59.801 2.034 19751 12244 1 20 . 1 1 16 16 VAL CB C 16 34.896 34.896 34.612 0.284 19751 12245 1 20 . 1 1 16 16 VAL H H 16 9.320 9.320 7.871 1.449 19751 12246 1 20 . 1 1 17 17 ASN N N 17 123.394 123.394 121.445 1.949 19751 12247 1 20 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.499 0.665 19751 12248 1 20 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.646 -0.097 19751 12249 1 20 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.770 -0.555 19751 12250 1 20 . 1 1 17 17 ASN H H 17 9.310 9.310 8.720 0.590 19751 12251 1 20 . 1 1 18 18 GLY H H 18 9.024 9.024 8.299 0.725 19751 12252 1 20 . 1 1 19 19 GLN N N 19 119.994 119.994 119.401 0.593 19751 12253 1 20 . 1 1 19 19 GLN H H 19 7.990 7.990 7.930 0.060 19751 12254 1 20 . 1 1 20 20 THR N N 20 117.472 117.472 113.435 4.037 19751 12255 1 20 . 1 1 20 20 THR HA H 20 4.384 4.384 4.420 -0.036 19751 12256 1 20 . 1 1 20 20 THR CA C 20 63.334 63.334 60.374 2.960 19751 12257 1 20 . 1 1 20 20 THR CB C 20 69.401 69.401 70.156 -0.755 19751 12258 1 20 . 1 1 20 20 THR H H 20 8.401 8.401 8.251 0.150 19751 12259 1 20 . 1 1 21 21 TYR N N 21 126.847 126.847 120.662 6.185 19751 12260 1 20 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.653 -0.491 19751 12261 1 20 . 1 1 21 21 TYR CA C 21 57.487 57.487 58.529 -1.042 19751 12262 1 20 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.330 4.000 19751 12263 1 20 . 1 1 21 21 TYR H H 21 9.367 9.367 8.431 0.936 19751 12264 1 20 . 1 1 22 22 LEU N N 22 118.537 118.537 125.187 -6.650 19751 12265 1 20 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.707 -0.515 19751 12266 1 20 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.876 2.046 19751 12267 1 20 . 1 1 22 22 LEU CB C 22 43.212 43.212 43.130 0.082 19751 12268 1 20 . 1 1 22 22 LEU H H 22 9.060 9.060 8.698 0.362 19751 12269 1 20 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.511 -0.120 19751 12270 1 20 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.961 0.373 19751 12271 1 20 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.048 0.092 19751 12272 1 20 . 1 1 25 25 ASP N N 25 121.554 121.554 119.578 1.976 19751 12273 1 20 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.743 -0.151 19751 12274 1 20 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.859 0.448 19751 12275 1 20 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.651 -0.564 19751 12276 1 20 . 1 1 25 25 ASP H H 25 8.324 8.324 8.559 -0.235 19751 12277 1 20 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.693 0.046 19751 12278 1 20 . 1 1 26 26 ASN CA C 26 52.656 52.656 52.956 -0.300 19751 12279 1 20 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.700 -0.568 19751 12280 1 20 . 1 1 27 27 GLY N N 27 109.206 109.206 109.922 -0.716 19751 12281 1 20 . 1 1 27 27 GLY CA C 27 45.414 45.414 45.098 0.316 19751 12282 1 20 . 1 1 27 27 GLY H H 27 8.494 8.494 8.864 -0.370 19751 12283 1 20 . 1 1 28 28 SER N N 28 116.238 116.238 116.593 -0.355 19751 12284 1 20 . 1 1 28 28 SER HA H 28 4.384 4.384 4.444 -0.060 19751 12285 1 20 . 1 1 28 28 SER CA C 28 60.226 60.226 57.991 2.235 19751 12286 1 20 . 1 1 28 28 SER CB C 28 63.818 63.818 65.035 -1.217 19751 12287 1 20 . 1 1 28 28 SER H H 28 8.372 8.372 8.067 0.305 19751 12288 1 20 . 1 1 29 29 LYS N N 29 121.905 121.905 123.124 -1.219 19751 12289 1 20 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.601 -0.270 19751 12290 1 20 . 1 1 29 29 LYS CA C 29 56.353 56.353 56.680 -0.327 19751 12291 1 20 . 1 1 29 29 LYS CB C 29 33.347 33.347 34.150 -0.803 19751 12292 1 20 . 1 1 29 29 LYS H H 29 8.027 8.027 8.385 -0.358 19751 12293 1 20 . 1 1 30 30 LYS N N 30 122.663 122.663 122.856 -0.193 19751 12294 1 20 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.484 -0.190 19751 12295 1 20 . 1 1 30 30 LYS CA C 30 56.214 56.214 56.758 -0.544 19751 12296 1 20 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.133 0.038 19751 12297 1 20 . 1 1 30 30 LYS H H 30 8.223 8.223 8.551 -0.328 19751 12298 1 20 . 1 1 31 31 ARG N N 31 123.469 123.469 125.136 -1.667 19751 12299 1 20 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.579 -0.224 19751 12300 1 20 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.392 0.903 19751 12301 1 20 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.633 0.222 19751 12302 1 20 . 1 1 31 31 ARG H H 31 8.404 8.404 8.701 -0.297 19751 12303 1 20 . 1 1 32 32 VAL N N 32 122.456 122.456 119.539 2.917 19751 12304 1 20 . 1 1 32 32 VAL HA H 32 4.243 4.243 5.093 -0.850 19751 12305 1 20 . 1 1 32 32 VAL CA C 32 62.316 62.316 61.224 1.092 19751 12306 1 20 . 1 1 32 32 VAL CB C 32 32.863 32.863 34.624 -1.761 19751 12307 1 20 . 1 1 32 32 VAL H H 32 8.214 8.214 8.620 -0.406 19751 12308 1 20 . 1 1 33 33 ALA N N 33 127.685 127.685 124.139 3.546 19751 12309 1 20 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.703 -0.401 19751 12310 1 20 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.939 0.678 19751 12311 1 20 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.639 -1.331 19751 12312 1 20 . 1 1 33 33 ALA H H 33 8.374 8.374 8.383 -0.009 19751 12313 1 20 . 1 1 34 34 ARG N N 34 119.922 119.922 120.861 -0.939 19751 12314 1 20 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.545 -0.222 19751 12315 1 20 . 1 1 34 34 ARG CA C 34 56.820 56.820 56.957 -0.137 19751 12316 1 20 . 1 1 34 34 ARG CB C 34 30.160 30.160 30.948 -0.788 19751 12317 1 20 . 1 1 34 34 ARG H H 34 8.652 8.652 8.570 0.082 19751 12318 1 20 . 1 1 35 35 SER N N 35 116.881 116.881 118.157 -1.276 19751 12319 1 20 . 1 1 35 35 SER HA H 35 4.543 4.543 4.513 0.030 19751 12320 1 20 . 1 1 35 35 SER CA C 35 58.440 58.440 58.607 -0.167 19751 12321 1 20 . 1 1 35 35 SER CB C 35 64.094 64.094 63.389 0.705 19751 12322 1 20 . 1 1 35 35 SER H H 35 8.359 8.359 8.301 0.058 19751 12323 1 20 . 1 1 36 36 LEU N N 36 124.595 124.595 123.625 0.970 19751 12324 1 20 . 1 1 36 36 LEU HA H 36 4.373 4.373 5.153 -0.780 19751 12325 1 20 . 1 1 36 36 LEU CA C 36 55.594 55.594 54.609 0.985 19751 12326 1 20 . 1 1 36 36 LEU CB C 36 42.278 42.278 44.421 -2.143 19751 12327 1 20 . 1 1 36 36 LEU H H 36 8.546 8.546 8.364 0.182 19751 12328 1 20 . 1 1 37 37 ASP N N 37 119.422 119.422 123.105 -3.683 19751 12329 1 20 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.185 -0.593 19751 12330 1 20 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.833 0.475 19751 12331 1 20 . 1 1 37 37 ASP CB C 37 41.182 41.182 43.507 -2.325 19751 12332 1 20 . 1 1 37 37 ASP H H 37 8.186 8.186 9.149 -0.963 19751 12333 1 20 . 1 1 38 38 SER N N 38 116.413 116.413 116.801 -0.388 19751 12334 1 20 . 1 1 38 38 SER HA H 38 4.450 4.450 4.744 -0.294 19751 12335 1 20 . 1 1 38 38 SER CA C 38 58.499 58.499 57.745 0.755 19751 12336 1 20 . 1 1 38 38 SER CB C 38 63.818 63.818 64.023 -0.205 19751 12337 1 20 . 1 1 38 38 SER H H 38 8.177 8.177 8.525 -0.348 19751 12338 1 20 . 1 1 39 39 LYS N N 39 123.095 123.095 122.651 0.444 19751 12339 1 20 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.714 -0.377 19751 12340 1 20 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.139 1.540 19751 12341 1 20 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.439 -1.207 19751 12342 1 20 . 1 1 39 39 LYS H H 39 8.379 8.379 8.357 0.022 19751 12343 1 20 . 1 1 40 40 VAL N N 40 122.475 122.475 116.716 5.759 19751 12344 1 20 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.332 0.056 19751 12345 1 20 . 1 1 40 40 VAL CA C 40 60.161 60.161 60.218 -0.056 19751 12346 1 20 . 1 1 40 40 VAL CB C 40 32.615 32.615 32.745 -0.130 19751 12347 1 20 . 1 1 40 40 VAL H H 40 8.069 8.069 8.316 -0.247 19751 12348 1 20 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.568 -0.147 19751 12349 1 20 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.124 -0.366 19751 12350 1 20 . 1 1 41 41 PRO CB C 41 32.307 32.307 30.936 1.371 19751 12351 1 20 . 1 1 42 42 GLN N N 42 121.230 121.230 122.488 -1.258 19751 12352 1 20 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.418 -0.139 19751 12353 1 20 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.396 0.632 19751 12354 1 20 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.395 -0.676 19751 12355 1 20 . 1 1 42 42 GLN H H 42 8.482 8.482 8.546 -0.064 19751 12356 1 20 . 1 1 43 43 GLN N N 43 121.831 121.831 122.849 -1.018 19751 12357 1 20 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.562 -0.173 19751 12358 1 20 . 1 1 43 43 GLN CA C 43 55.924 55.924 55.518 0.406 19751 12359 1 20 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.395 -0.866 19751 12360 1 20 . 1 1 43 43 GLN H H 43 8.506 8.506 8.663 -0.157 19751 12361 1 20 . 1 1 44 44 THR N N 44 116.251 116.251 115.816 0.435 19751 12362 1 20 . 1 1 44 44 THR HA H 44 4.302 4.302 4.657 -0.355 19751 12363 1 20 . 1 1 44 44 THR CA C 44 61.922 61.922 62.438 -0.516 19751 12364 1 20 . 1 1 44 44 THR CB C 44 69.811 69.811 69.956 -0.145 19751 12365 1 20 . 1 1 44 44 THR H H 44 8.231 8.231 8.284 -0.053 19751 12366 1 20 . 1 1 45 45 LEU N N 45 125.046 125.046 126.052 -1.006 19751 12367 1 20 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.510 -0.012 19751 12368 1 20 . 1 1 45 45 LEU CA C 45 55.107 55.107 55.195 -0.088 19751 12369 1 20 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.611 -0.799 19751 12370 1 20 . 1 1 45 45 LEU H H 45 8.257 8.257 8.547 -0.290 19751 12371 1 20 . 1 1 46 46 ARG N N 46 120.522 120.522 123.975 -3.453 19751 12372 1 20 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.899 -0.666 19751 12373 1 20 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.339 1.125 19751 12374 1 20 . 1 1 46 46 ARG CB C 46 29.971 29.971 31.604 -1.633 19751 12375 1 20 . 1 1 46 46 ARG H H 46 8.007 8.007 8.414 -0.407 19751 12376 1 20 . 1 1 47 47 ARG N N 47 121.010 121.010 121.156 -0.146 19751 12377 1 20 . 1 1 47 47 ARG H H 47 8.324 8.324 8.508 -0.184 19751 12378 1 20 . 1 1 48 48 GLY CA C 48 45.340 45.340 45.066 0.274 19751 12379 1 20 . 1 1 49 49 ASP N N 49 120.513 120.513 121.336 -0.823 19751 12380 1 20 . 1 1 49 49 ASP HA H 49 4.619 4.619 5.023 -0.404 19751 12381 1 20 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.474 0.856 19751 12382 1 20 . 1 1 49 49 ASP CB C 49 41.163 41.163 43.269 -2.106 19751 12383 1 20 . 1 1 49 49 ASP H H 49 8.225 8.225 8.898 -0.673 19751 12384 1 20 . 1 1 50 50 VAL N N 50 119.718 119.718 117.771 1.947 19751 12385 1 20 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.834 -0.762 19751 12386 1 20 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.004 1.398 19751 12387 1 20 . 1 1 50 50 VAL CB C 50 32.794 32.794 35.466 -2.672 19751 12388 1 20 . 1 1 50 50 VAL H H 50 8.024 8.024 8.453 -0.429 19751 12389 1 20 . 1 1 51 51 LEU N N 51 125.249 125.249 125.124 0.125 19751 12390 1 20 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.568 -0.222 19751 12391 1 20 . 1 1 51 51 LEU CA C 51 55.370 55.370 55.131 0.239 19751 12392 1 20 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.936 -1.557 19751 12393 1 20 . 1 1 51 51 LEU H H 51 8.305 8.305 8.539 -0.234 19751 12394 1 20 . 1 1 52 52 MET HA H 52 4.458 4.458 4.784 -0.326 19751 12395 1 20 . 1 1 52 52 MET CA C 52 55.417 55.417 55.688 -0.271 19751 12396 1 20 . 1 1 52 52 MET CB C 52 32.264 32.264 32.465 -0.201 19751 12397 1 20 . 1 1 53 53 GLN N N 53 121.447 121.447 119.545 1.902 19751 12398 1 20 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.405 -0.098 19751 12399 1 20 . 1 1 53 53 GLN CA C 53 56.214 56.214 56.177 0.037 19751 12400 1 20 . 1 1 53 53 GLN CB C 53 29.697 29.697 30.578 -0.881 19751 12401 1 20 . 1 1 53 53 GLN H H 53 8.373 8.373 7.642 0.731 19751 12402 1 20 . 1 1 54 54 GLY N N 54 110.484 110.484 109.407 1.077 19751 12403 1 20 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.282 -0.032 19751 12404 1 20 . 1 1 54 54 GLY H H 54 8.456 8.456 8.613 -0.157 19751 12405 1 20 . 1 1 55 55 ALA N N 55 123.673 123.673 122.030 1.643 19751 12406 1 20 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.446 -0.139 19751 12407 1 20 . 1 1 55 55 ALA C C 55 177.397 177.397 175.712 1.685 19751 12408 1 20 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.347 0.270 19751 12409 1 20 . 1 1 55 55 ALA CB C 55 19.308 19.308 20.301 -0.993 19751 12410 1 20 . 1 1 55 55 ALA H H 55 8.113 8.113 8.329 -0.216 19751 12411 1 20 . 1 1 56 56 ALA N N 56 123.295 123.295 125.044 -1.749 19751 12412 1 20 . 1 1 56 56 ALA HA H 56 4.303 4.303 4.871 -0.568 19751 12413 1 20 . 1 1 56 56 ALA C C 56 177.446 177.446 175.396 2.050 19751 12414 1 20 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.273 0.160 19751 12415 1 20 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.384 -1.076 19751 12416 1 20 . 1 1 56 56 ALA H H 56 8.297 8.297 8.075 0.222 19751 12417 1 20 . 1 1 57 57 SER N N 57 116.534 116.534 115.022 1.512 19751 12418 1 20 . 1 1 57 57 SER HA H 57 4.737 4.737 4.784 -0.047 19751 12419 1 20 . 1 1 57 57 SER CA C 57 56.332 56.332 57.596 -1.264 19751 12420 1 20 . 1 1 57 57 SER CB C 57 63.567 63.567 63.100 0.467 19751 12421 1 20 . 1 1 57 57 SER H H 57 8.258 8.258 8.632 -0.374 19751 12422 1 20 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.774 -0.372 19751 12423 1 20 . 1 1 58 58 PRO C C 58 176.874 176.874 175.915 0.959 19751 12424 1 20 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.359 -0.002 19751 12425 1 20 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.947 -0.912 19751 12426 1 20 . 1 1 59 59 GLU N N 59 120.545 120.545 120.598 -0.053 19751 12427 1 20 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.928 -0.692 19751 12428 1 20 . 1 1 59 59 GLU C C 59 176.383 176.383 174.616 1.767 19751 12429 1 20 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.501 1.074 19751 12430 1 20 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.683 -1.580 19751 12431 1 20 . 1 1 59 59 GLU H H 59 8.556 8.556 8.662 -0.106 19751 12432 1 20 . 1 1 60 60 LEU N N 60 122.946 122.946 120.061 2.885 19751 12433 1 20 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.637 -0.193 19751 12434 1 20 . 1 1 60 60 LEU C C 60 177.201 177.201 174.593 2.608 19751 12435 1 20 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.611 0.509 19751 12436 1 20 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.325 -1.037 19751 12437 1 20 . 1 1 60 60 LEU H H 60 8.205 8.205 8.294 -0.089 19751 12438 1 20 . 1 1 61 61 THR N N 61 115.168 115.168 116.302 -1.134 19751 12439 1 20 . 1 1 61 61 THR HA H 61 4.380 4.380 4.798 -0.418 19751 12440 1 20 . 1 1 61 61 THR C C 61 174.201 174.201 172.968 1.233 19751 12441 1 20 . 1 1 61 61 THR CA C 61 61.792 61.792 62.064 -0.272 19751 12442 1 20 . 1 1 61 61 THR CB C 61 69.770 69.770 69.643 0.127 19751 12443 1 20 . 1 1 61 61 THR H H 61 8.149 8.149 8.437 -0.288 19751 12444 1 20 . 1 1 62 62 VAL N N 62 121.650 121.650 123.409 -1.759 19751 12445 1 20 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.289 0.030 19751 12446 1 20 . 1 1 62 62 VAL C C 62 175.921 175.921 173.715 2.206 19751 12447 1 20 . 1 1 62 62 VAL CA C 62 61.709 61.709 61.606 0.103 19751 12448 1 20 . 1 1 62 62 VAL CB C 62 33.355 33.355 33.517 -0.162 19751 12449 1 20 . 1 1 62 62 VAL H H 62 8.091 8.091 8.231 -0.140 19751 12450 1 20 . 1 1 63 63 SER N N 63 120.076 120.076 119.135 0.941 19751 12451 1 20 . 1 1 63 63 SER HA H 63 4.542 4.542 4.817 -0.275 19751 12452 1 20 . 1 1 63 63 SER C C 63 174.254 174.254 173.268 0.986 19751 12453 1 20 . 1 1 63 63 SER CA C 63 58.375 58.375 57.243 1.132 19751 12454 1 20 . 1 1 63 63 SER CB C 63 64.196 64.196 66.022 -1.826 19751 12455 1 20 . 1 1 63 63 SER H H 63 8.524 8.524 8.206 0.318 19751 12456 1 20 . 1 1 64 64 GLY N N 64 109.912 109.912 107.977 1.935 19751 12457 1 20 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.984 -0.600 19751 12458 1 20 . 1 1 64 64 GLY H H 64 8.255 8.255 8.534 -0.279 19751 12459 1 20 . 1 1 65 65 THR N N 65 114.200 114.200 115.855 -1.655 19751 12460 1 20 . 1 1 65 65 THR HA H 65 4.929 4.929 5.072 -0.143 19751 12461 1 20 . 1 1 65 65 THR CA C 65 60.826 60.826 61.456 -0.630 19751 12462 1 20 . 1 1 65 65 THR CB C 65 71.805 71.805 72.432 -0.627 19751 12463 1 20 . 1 1 65 65 THR H H 65 8.468 8.468 7.966 0.502 19751 12464 1 20 . 1 1 66 66 LEU N N 66 122.673 122.673 123.334 -0.661 19751 12465 1 20 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.824 0.097 19751 12466 1 20 . 1 1 66 66 LEU C C 66 174.364 174.364 174.532 -0.168 19751 12467 1 20 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.333 -0.923 19751 12468 1 20 . 1 1 66 66 LEU CB C 66 44.450 44.450 46.042 -1.592 19751 12469 1 20 . 1 1 66 66 LEU H H 66 9.054 9.054 8.900 0.154 19751 12470 1 20 . 1 1 67 67 LEU N N 67 124.219 124.219 126.496 -2.277 19751 12471 1 20 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.820 0.388 19751 12472 1 20 . 1 1 67 67 LEU C C 67 177.107 177.107 176.070 1.037 19751 12473 1 20 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.181 -0.408 19751 12474 1 20 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.233 0.973 19751 12475 1 20 . 1 1 67 67 LEU H H 67 8.927 8.927 8.977 -0.050 19751 12476 1 20 . 1 1 68 68 VAL N N 68 121.113 121.113 125.008 -3.895 19751 12477 1 20 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.328 0.528 19751 12478 1 20 . 1 1 68 68 VAL C C 68 174.079 174.079 174.399 -0.320 19751 12479 1 20 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.065 -0.207 19751 12480 1 20 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.352 0.663 19751 12481 1 20 . 1 1 68 68 VAL H H 68 9.345 9.345 8.974 0.371 19751 12482 1 20 . 1 1 69 69 GLU N N 69 127.682 127.682 130.507 -2.825 19751 12483 1 20 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.699 0.200 19751 12484 1 20 . 1 1 69 69 GLU C C 69 173.485 173.485 174.804 -1.319 19751 12485 1 20 . 1 1 69 69 GLU CA C 69 55.347 55.347 55.912 -0.565 19751 12486 1 20 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.674 0.297 19751 12487 1 20 . 1 1 69 69 GLU H H 69 8.110 8.110 8.623 -0.513 19751 12488 1 20 . 1 1 70 70 ALA N N 70 130.042 130.042 128.128 1.914 19751 12489 1 20 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.490 0.074 19751 12490 1 20 . 1 1 70 70 ALA C C 70 174.853 174.853 174.929 -0.076 19751 12491 1 20 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.218 0.486 19751 12492 1 20 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.201 0.230 19751 12493 1 20 . 1 1 70 70 ALA H H 70 7.991 7.991 7.715 0.276 19751 12494 1 20 . 1 1 71 71 ASP N N 71 117.021 117.021 119.196 -2.175 19751 12495 1 20 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.568 0.012 19751 12496 1 20 . 1 1 71 71 ASP C C 71 175.160 175.160 176.730 -1.570 19751 12497 1 20 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.725 -0.682 19751 12498 1 20 . 1 1 71 71 ASP CB C 71 40.922 40.922 41.835 -0.913 19751 12499 1 20 . 1 1 71 71 ASP H H 71 8.025 8.025 8.140 -0.115 19751 12500 1 20 . 1 1 72 72 ASP N N 72 119.867 119.867 119.128 0.739 19751 12501 1 20 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.762 0.361 19751 12502 1 20 . 1 1 72 72 ASP C C 72 177.598 177.598 177.360 0.238 19751 12503 1 20 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.351 1.106 19751 12504 1 20 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.572 -0.584 19751 12505 1 20 . 1 1 72 72 ASP H H 72 8.644 8.644 8.689 -0.045 19751 12506 1 20 . 1 1 73 73 ALA N N 73 120.735 120.735 120.847 -0.112 19751 12507 1 20 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.018 -0.066 19751 12508 1 20 . 1 1 73 73 ALA C C 73 181.711 181.711 179.918 1.793 19751 12509 1 20 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.815 0.542 19751 12510 1 20 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.494 -0.673 19751 12511 1 20 . 1 1 73 73 ALA H H 73 8.212 8.212 7.883 0.329 19751 12512 1 20 . 1 1 74 74 SER N N 74 116.971 116.971 114.170 2.801 19751 12513 1 20 . 1 1 74 74 SER HA H 74 4.207 4.207 4.153 0.054 19751 12514 1 20 . 1 1 74 74 SER C C 74 176.918 176.918 176.331 0.587 19751 12515 1 20 . 1 1 74 74 SER CA C 74 61.632 61.632 60.539 1.093 19751 12516 1 20 . 1 1 74 74 SER CB C 74 62.233 62.233 63.250 -1.017 19751 12517 1 20 . 1 1 74 74 SER H H 74 8.376 8.376 8.332 0.044 19751 12518 1 20 . 1 1 75 75 ALA N N 75 124.844 124.844 125.000 -0.156 19751 12519 1 20 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.876 -0.054 19751 12520 1 20 . 1 1 75 75 ALA C C 75 179.160 179.160 178.969 0.191 19751 12521 1 20 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.305 -0.004 19751 12522 1 20 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.981 0.531 19751 12523 1 20 . 1 1 75 75 ALA H H 75 9.121 9.121 7.891 1.230 19751 12524 1 20 . 1 1 76 76 LYS N N 76 117.821 117.821 117.974 -0.153 19751 12525 1 20 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.960 -0.155 19751 12526 1 20 . 1 1 76 76 LYS C C 76 179.175 179.175 178.633 0.542 19751 12527 1 20 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.140 0.998 19751 12528 1 20 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.848 0.514 19751 12529 1 20 . 1 1 76 76 LYS H H 76 8.306 8.306 7.644 0.662 19751 12530 1 20 . 1 1 77 77 ALA N N 77 122.703 122.703 121.278 1.425 19751 12531 1 20 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.139 0.051 19751 12532 1 20 . 1 1 77 77 ALA C C 77 180.868 180.868 179.554 1.314 19751 12533 1 20 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.590 0.562 19751 12534 1 20 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.269 -0.437 19751 12535 1 20 . 1 1 77 77 ALA H H 77 7.584 7.584 7.529 0.055 19751 12536 1 20 . 1 1 78 78 LEU N N 78 120.574 120.574 118.575 1.999 19751 12537 1 20 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.042 -0.006 19751 12538 1 20 . 1 1 78 78 LEU C C 78 178.870 178.870 178.953 -0.083 19751 12539 1 20 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.855 1.032 19751 12540 1 20 . 1 1 78 78 LEU CB C 78 42.479 42.479 42.000 0.479 19751 12541 1 20 . 1 1 78 78 LEU H H 78 8.338 8.338 7.779 0.559 19751 12542 1 20 . 1 1 79 79 ALA N N 79 121.156 121.156 121.469 -0.313 19751 12543 1 20 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.137 -0.242 19751 12544 1 20 . 1 1 79 79 ALA C C 79 179.393 179.393 178.972 0.421 19751 12545 1 20 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.204 0.556 19751 12546 1 20 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.373 -1.117 19751 12547 1 20 . 1 1 79 79 ALA H H 79 8.491 8.491 8.180 0.311 19751 12548 1 20 . 1 1 80 80 THR N N 80 114.097 114.097 112.064 2.033 19751 12549 1 20 . 1 1 80 80 THR HA H 80 4.048 4.048 4.270 -0.222 19751 12550 1 20 . 1 1 80 80 THR C C 80 177.034 177.034 176.176 0.858 19751 12551 1 20 . 1 1 80 80 THR CA C 80 66.139 66.139 65.499 0.640 19751 12552 1 20 . 1 1 80 80 THR CB C 80 69.243 69.243 68.968 0.275 19751 12553 1 20 . 1 1 80 80 THR H H 80 8.111 8.111 7.698 0.413 19751 12554 1 20 . 1 1 81 81 ARG N N 81 121.321 121.321 119.904 1.417 19751 12555 1 20 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.154 -0.211 19751 12556 1 20 . 1 1 81 81 ARG C C 81 177.546 177.546 178.067 -0.521 19751 12557 1 20 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.393 0.647 19751 12558 1 20 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.342 0.381 19751 12559 1 20 . 1 1 81 81 ARG H H 81 7.893 7.893 7.438 0.455 19751 12560 1 20 . 1 1 82 82 HIS N N 82 113.320 113.320 114.512 -1.192 19751 12561 1 20 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.561 0.148 19751 12562 1 20 . 1 1 82 82 HIS C C 82 174.918 174.918 176.354 -1.436 19751 12563 1 20 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.025 -0.863 19751 12564 1 20 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.356 1.152 19751 12565 1 20 . 1 1 82 82 HIS H H 82 7.684 7.684 7.924 -0.240 19751 12566 1 20 . 1 1 83 83 GLY N N 83 109.763 109.763 106.796 2.967 19751 12567 1 20 . 1 1 83 83 GLY C C 83 174.866 174.866 174.055 0.811 19751 12568 1 20 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.964 2.313 19751 12569 1 20 . 1 1 83 83 GLY H H 83 7.707 7.707 7.745 -0.038 19751 12570 1 20 . 1 1 84 84 LEU N N 84 119.225 119.225 119.295 -0.070 19751 12571 1 20 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.540 0.294 19751 12572 1 20 . 1 1 84 84 LEU C C 84 174.880 174.880 176.297 -1.417 19751 12573 1 20 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.082 -1.213 19751 12574 1 20 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.658 2.425 19751 12575 1 20 . 1 1 84 84 LEU H H 84 8.672 8.672 7.314 1.358 19751 12576 1 20 . 1 1 85 85 ASN N N 85 117.042 117.042 117.124 -0.082 19751 12577 1 20 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.910 0.258 19751 12578 1 20 . 1 1 85 85 ASN C C 85 175.212 175.212 174.105 1.107 19751 12579 1 20 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.017 -0.159 19751 12580 1 20 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.573 0.309 19751 12581 1 20 . 1 1 85 85 ASN H H 85 8.955 8.955 8.393 0.562 19751 12582 1 20 . 1 1 86 86 PHE N N 86 126.957 126.957 126.818 0.139 19751 12583 1 20 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.455 -0.014 19751 12584 1 20 . 1 1 86 86 PHE C C 86 173.744 173.744 174.801 -1.057 19751 12585 1 20 . 1 1 86 86 PHE CA C 86 58.606 58.606 58.645 -0.039 19751 12586 1 20 . 1 1 86 86 PHE CB C 86 39.064 39.064 39.355 -0.291 19751 12587 1 20 . 1 1 86 86 PHE H H 86 9.221 9.221 8.984 0.237 19751 12588 1 20 . 1 1 87 87 LYS N N 87 129.305 129.305 128.040 1.265 19751 12589 1 20 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.146 0.205 19751 12590 1 20 . 1 1 87 87 LYS C C 87 175.203 175.203 175.787 -0.584 19751 12591 1 20 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.616 0.081 19751 12592 1 20 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.675 -0.101 19751 12593 1 20 . 1 1 87 87 LYS H H 87 8.397 8.397 8.548 -0.151 19751 12594 1 20 . 1 1 88 88 GLN N N 88 110.785 110.785 114.326 -3.541 19751 12595 1 20 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.209 0.182 19751 12596 1 20 . 1 1 88 88 GLN C C 88 185.308 185.308 173.522 11.786 19751 12597 1 20 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.550 0.203 19751 12598 1 20 . 1 1 88 88 GLN H H 88 6.855 6.855 7.927 -1.072 19751 12599 1 20 . 1 1 89 89 SER N N 89 113.927 113.927 115.149 -1.222 19751 12600 1 20 . 1 1 89 89 SER HA H 89 5.298 5.298 5.299 -0.001 19751 12601 1 20 . 1 1 89 89 SER C C 89 173.757 173.757 174.058 -0.301 19751 12602 1 20 . 1 1 89 89 SER CA C 89 56.776 56.776 56.885 -0.109 19751 12603 1 20 . 1 1 89 89 SER CB C 89 67.417 67.417 65.663 1.754 19751 12604 1 20 . 1 1 89 89 SER H H 89 8.718 8.718 8.412 0.306 19751 12605 1 20 . 1 1 90 90 SER N N 90 114.246 114.246 117.065 -2.819 19751 12606 1 20 . 1 1 90 90 SER HA H 90 4.597 4.597 4.697 -0.100 19751 12607 1 20 . 1 1 90 90 SER CA C 90 58.356 58.356 58.027 0.329 19751 12608 1 20 . 1 1 90 90 SER CB C 90 63.952 63.952 63.292 0.659 19751 12609 1 20 . 1 1 90 90 SER H H 90 8.479 8.479 8.432 0.047 19751 12610 1 20 . 1 1 91 91 GLY N N 91 116.101 116.101 108.518 7.583 19751 12611 1 20 . 1 1 91 91 GLY C C 91 174.853 174.853 174.961 -0.108 19751 12612 1 20 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.300 1.855 19751 12613 1 20 . 1 1 91 91 GLY H H 91 8.490 8.490 8.213 0.277 19751 12614 1 20 . 1 1 92 92 GLY N N 92 107.199 107.199 108.101 -0.902 19751 12615 1 20 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.117 -0.451 19751 12616 1 20 . 1 1 92 92 GLY H H 92 8.914 8.914 8.264 0.650 19751 12617 1 20 . 1 1 93 93 ILE N N 93 118.958 118.958 115.575 3.383 19751 12618 1 20 . 1 1 93 93 ILE HA H 93 4.738 4.738 5.002 -0.264 19751 12619 1 20 . 1 1 93 93 ILE C C 93 175.050 175.050 173.584 1.466 19751 12620 1 20 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.947 -1.412 19751 12621 1 20 . 1 1 93 93 ILE CB C 93 38.109 38.109 41.003 -2.894 19751 12622 1 20 . 1 1 93 93 ILE H H 93 7.540 7.540 7.559 -0.019 19751 12623 1 20 . 1 1 94 94 ALA N N 94 131.032 131.032 128.663 2.369 19751 12624 1 20 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.280 -0.552 19751 12625 1 20 . 1 1 94 94 ALA C C 94 174.512 174.512 177.453 -2.941 19751 12626 1 20 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.255 0.183 19751 12627 1 20 . 1 1 94 94 ALA CB C 94 21.812 21.812 20.331 1.481 19751 12628 1 20 . 1 1 94 94 ALA H H 94 9.561 9.561 9.193 0.368 19751 12629 1 20 . 1 1 95 95 LEU N N 95 123.066 123.066 123.849 -0.783 19751 12630 1 20 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.739 0.225 19751 12631 1 20 . 1 1 95 95 LEU C C 95 174.922 174.922 175.895 -0.973 19751 12632 1 20 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.295 0.220 19751 12633 1 20 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.383 2.822 19751 12634 1 20 . 1 1 95 95 LEU H H 95 8.641 8.641 8.373 0.268 19751 12635 1 20 . 1 1 96 96 LEU N N 96 124.843 124.843 124.930 -0.087 19751 12636 1 20 . 1 1 96 96 LEU HA H 96 5.171 5.171 4.854 0.317 19751 12637 1 20 . 1 1 96 96 LEU C C 96 175.059 175.059 177.066 -2.007 19751 12638 1 20 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.977 -1.338 19751 12639 1 20 . 1 1 96 96 LEU CB C 96 44.269 44.269 42.715 1.554 19751 12640 1 20 . 1 1 96 96 LEU H H 96 9.235 9.235 8.750 0.485 19751 12641 1 20 . 1 1 97 97 GLU N N 97 121.306 121.306 121.301 0.005 19751 12642 1 20 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.654 0.205 19751 12643 1 20 . 1 1 97 97 GLU C C 97 175.343 175.343 175.447 -0.104 19751 12644 1 20 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.975 0.116 19751 12645 1 20 . 1 1 97 97 GLU CB C 97 33.415 33.415 31.153 2.262 19751 12646 1 20 . 1 1 97 97 GLU H H 97 9.113 9.113 8.578 0.535 19751 12647 1 20 . 1 1 98 98 ALA N N 98 126.658 126.658 128.534 -1.876 19751 12648 1 20 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.371 0.403 19751 12649 1 20 . 1 1 98 98 ALA C C 98 176.880 176.880 177.404 -0.524 19751 12650 1 20 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.396 -0.801 19751 12651 1 20 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.620 1.763 19751 12652 1 20 . 1 1 98 98 ALA H H 98 8.731 8.731 8.640 0.091 19751 12653 1 20 . 1 1 99 99 LYS N N 99 121.674 121.674 122.893 -1.219 19751 12654 1 20 . 1 1 99 99 LYS H H 99 8.636 8.636 8.238 0.398 19751 12655 1 20 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.244 0.218 19751 12656 1 20 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.799 -0.311 19751 12657 1 20 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.737 1.449 19751 12658 1 20 . 1 1 101 101 GLY N N 101 110.695 110.695 114.174 -3.479 19751 12659 1 20 . 1 1 101 101 GLY C C 101 174.676 174.676 174.461 0.215 19751 12660 1 20 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.866 0.317 19751 12661 1 20 . 1 1 101 101 GLY H H 101 8.709 8.709 8.289 0.420 19751 12662 1 20 . 1 1 102 102 THR N N 102 116.771 116.771 118.895 -2.124 19751 12663 1 20 . 1 1 102 102 THR HA H 102 4.134 4.134 4.380 -0.246 19751 12664 1 20 . 1 1 102 102 THR CA C 102 62.998 62.998 63.102 -0.104 19751 12665 1 20 . 1 1 102 102 THR CB C 102 69.736 69.736 69.662 0.074 19751 12666 1 20 . 1 1 102 102 THR H H 102 7.652 7.652 7.607 0.045 19751 12667 1 20 . 1 1 103 103 ASP N N 103 125.950 125.950 127.480 -1.530 19751 12668 1 20 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.759 -0.055 19751 12669 1 20 . 1 1 103 103 ASP C C 103 175.907 175.907 177.362 -1.455 19751 12670 1 20 . 1 1 103 103 ASP CA C 103 52.747 52.747 54.111 -1.365 19751 12671 1 20 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.169 0.819 19751 12672 1 20 . 1 1 103 103 ASP H H 103 8.849 8.849 8.785 0.064 19751 12673 1 20 . 1 1 104 104 LEU N N 104 127.195 127.195 120.082 7.113 19751 12674 1 20 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.893 -0.022 19751 12675 1 20 . 1 1 104 104 LEU C C 104 178.528 178.528 177.993 0.535 19751 12676 1 20 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.283 -0.855 19751 12677 1 20 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.505 0.677 19751 12678 1 20 . 1 1 104 104 LEU H H 104 8.464 8.464 7.564 0.900 19751 12679 1 20 . 1 1 105 105 ASN N N 105 116.748 116.748 116.512 0.236 19751 12680 1 20 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.371 -0.034 19751 12681 1 20 . 1 1 105 105 ASN C C 105 177.999 177.999 176.148 1.851 19751 12682 1 20 . 1 1 105 105 ASN CA C 105 56.542 56.542 55.575 0.967 19751 12683 1 20 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.685 0.540 19751 12684 1 20 . 1 1 105 105 ASN H H 105 8.225 8.225 8.573 -0.348 19751 12685 1 20 . 1 1 106 106 ALA N N 106 123.704 123.704 121.117 2.587 19751 12686 1 20 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.295 -0.209 19751 12687 1 20 . 1 1 106 106 ALA C C 106 181.021 181.021 179.662 1.359 19751 12688 1 20 . 1 1 106 106 ALA CA C 106 54.884 54.884 53.899 0.985 19751 12689 1 20 . 1 1 106 106 ALA CB C 106 17.983 17.983 19.410 -1.427 19751 12690 1 20 . 1 1 106 106 ALA H H 106 7.810 7.810 7.540 0.270 19751 12691 1 20 . 1 1 107 107 ILE N N 107 118.676 118.676 120.375 -1.699 19751 12692 1 20 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.417 0.237 19751 12693 1 20 . 1 1 107 107 ILE C C 107 177.324 177.324 177.918 -0.594 19751 12694 1 20 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.921 -1.086 19751 12695 1 20 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.182 0.425 19751 12696 1 20 . 1 1 107 107 ILE H H 107 7.582 7.582 7.756 -0.174 19751 12697 1 20 . 1 1 108 108 ALA N N 108 122.550 122.550 121.624 0.926 19751 12698 1 20 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.882 -0.081 19751 12699 1 20 . 1 1 108 108 ALA CA C 108 56.078 56.078 54.888 1.190 19751 12700 1 20 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.652 0.285 19751 12701 1 20 . 1 1 108 108 ALA H H 108 8.551 8.551 7.768 0.783 19751 12702 1 20 . 1 1 109 109 THR N N 109 113.975 113.975 111.735 2.240 19751 12703 1 20 . 1 1 109 109 THR HA H 109 3.806 3.806 4.007 -0.201 19751 12704 1 20 . 1 1 109 109 THR C C 109 176.632 176.632 176.103 0.529 19751 12705 1 20 . 1 1 109 109 THR CA C 109 67.362 67.362 65.855 1.507 19751 12706 1 20 . 1 1 109 109 THR CB C 109 68.554 68.554 68.653 -0.099 19751 12707 1 20 . 1 1 109 109 THR H H 109 8.197 8.197 8.123 0.074 19751 12708 1 20 . 1 1 110 110 LYS N N 110 123.603 123.603 119.994 3.609 19751 12709 1 20 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.229 -0.152 19751 12710 1 20 . 1 1 110 110 LYS C C 110 179.640 179.640 179.184 0.456 19751 12711 1 20 . 1 1 110 110 LYS CA C 110 59.365 59.365 57.878 1.487 19751 12712 1 20 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.144 -0.073 19751 12713 1 20 . 1 1 110 110 LYS H H 110 7.656 7.656 7.920 -0.264 19751 12714 1 20 . 1 1 111 111 LEU N N 111 120.492 120.492 120.300 0.192 19751 12715 1 20 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.094 -0.237 19751 12716 1 20 . 1 1 111 111 LEU C C 111 179.289 179.289 179.106 0.183 19751 12717 1 20 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.879 0.236 19751 12718 1 20 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.651 -0.536 19751 12719 1 20 . 1 1 111 111 LEU H H 111 8.441 8.441 7.645 0.796 19751 12720 1 20 . 1 1 112 112 LYS N N 112 120.305 120.305 118.955 1.350 19751 12721 1 20 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.333 0.108 19751 12722 1 20 . 1 1 112 112 LYS C C 112 181.574 181.574 178.946 2.628 19751 12723 1 20 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.812 0.799 19751 12724 1 20 . 1 1 112 112 LYS CB C 112 32.293 32.293 32.027 0.266 19751 12725 1 20 . 1 1 112 112 LYS H H 112 8.452 8.452 8.053 0.399 19751 12726 1 20 . 1 1 113 113 SER N N 113 116.992 116.992 113.184 3.808 19751 12727 1 20 . 1 1 113 113 SER HA H 113 4.389 4.389 4.251 0.138 19751 12728 1 20 . 1 1 113 113 SER C C 113 175.200 175.200 175.830 -0.630 19751 12729 1 20 . 1 1 113 113 SER CA C 113 61.260 61.260 60.934 0.326 19751 12730 1 20 . 1 1 113 113 SER CB C 113 62.863 62.863 62.822 0.041 19751 12731 1 20 . 1 1 113 113 SER H H 113 7.995 7.995 7.819 0.176 19751 12732 1 20 . 1 1 114 114 GLU N N 114 120.677 120.677 118.471 2.206 19751 12733 1 20 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.389 0.042 19751 12734 1 20 . 1 1 114 114 GLU C C 114 176.506 176.506 176.752 -0.246 19751 12735 1 20 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.748 -0.437 19751 12736 1 20 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.505 -1.108 19751 12737 1 20 . 1 1 114 114 GLU H H 114 7.577 7.577 7.794 -0.217 19751 12738 1 20 . 1 1 115 115 GLY N N 115 107.383 107.383 106.915 0.468 19751 12739 1 20 . 1 1 115 115 GLY C C 115 174.019 174.019 174.091 -0.072 19751 12740 1 20 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.681 0.817 19751 12741 1 20 . 1 1 115 115 GLY H H 115 7.947 7.947 7.473 0.474 19751 12742 1 20 . 1 1 116 116 VAL N N 116 121.389 121.389 119.911 1.478 19751 12743 1 20 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.143 -0.011 19751 12744 1 20 . 1 1 116 116 VAL C C 116 175.092 175.092 175.114 -0.022 19751 12745 1 20 . 1 1 116 116 VAL CA C 116 61.077 61.077 61.180 -0.103 19751 12746 1 20 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.835 0.208 19751 12747 1 20 . 1 1 116 116 VAL H H 116 7.704 7.704 7.469 0.235 19751 12748 1 20 . 1 1 117 117 ASN N N 117 125.670 125.670 124.974 0.696 19751 12749 1 20 . 1 1 117 117 ASN HA H 117 4.794 4.794 5.017 -0.223 19751 12750 1 20 . 1 1 117 117 ASN C C 117 173.847 173.847 173.879 -0.032 19751 12751 1 20 . 1 1 117 117 ASN CA C 117 53.204 53.204 52.443 0.761 19751 12752 1 20 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.810 -0.809 19751 12753 1 20 . 1 1 117 117 ASN H H 117 9.161 9.161 8.489 0.672 19751 12754 1 20 . 1 1 118 118 VAL N N 118 121.648 121.648 118.552 3.096 19751 12755 1 20 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.132 0.141 19751 12756 1 20 . 1 1 118 118 VAL C C 118 173.553 173.553 174.821 -1.268 19751 12757 1 20 . 1 1 118 118 VAL CA C 118 58.505 58.505 58.807 -0.302 19751 12758 1 20 . 1 1 118 118 VAL CB C 118 35.089 35.089 34.884 0.205 19751 12759 1 20 . 1 1 118 118 VAL H H 118 7.811 7.811 8.192 -0.381 19751 12760 1 20 . 1 1 119 119 GLN N N 119 124.298 124.298 120.761 3.537 19751 12761 1 20 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.670 -0.017 19751 12762 1 20 . 1 1 119 119 GLN C C 119 174.263 174.263 174.805 -0.542 19751 12763 1 20 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.162 0.081 19751 12764 1 20 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.652 -0.126 19751 12765 1 20 . 1 1 119 119 GLN H H 119 8.746 8.746 8.276 0.470 19751 12766 1 20 . 1 1 120 120 ILE N N 120 122.997 122.997 126.807 -3.810 19751 12767 1 20 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.192 0.256 19751 12768 1 20 . 1 1 120 120 ILE C C 120 175.616 175.616 176.107 -0.491 19751 12769 1 20 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.369 0.588 19751 12770 1 20 . 1 1 120 120 ILE CB C 120 39.930 39.930 35.760 4.170 19751 12771 1 20 . 1 1 120 120 ILE H H 120 8.670 8.670 8.609 0.061 19751 12772 1 20 . 1 1 121 121 GLU N N 121 128.460 128.460 128.521 -0.061 19751 12773 1 20 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.571 -0.076 19751 12774 1 20 . 1 1 121 121 GLU C C 121 175.490 175.490 174.541 0.949 19751 12775 1 20 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.801 0.848 19751 12776 1 20 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.513 -1.323 19751 12777 1 20 . 1 1 121 121 GLU H H 121 8.641 8.641 8.383 0.258 19751 12778 1 20 . 1 1 122 122 LEU N N 122 126.756 126.756 120.379 6.377 19751 12779 1 20 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.672 -0.093 19751 12780 1 20 . 1 1 122 122 LEU C C 122 177.291 177.291 176.675 0.616 19751 12781 1 20 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.761 0.751 19751 12782 1 20 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.189 -1.767 19751 12783 1 20 . 1 1 122 122 LEU H H 122 8.642 8.642 8.351 0.291 19751 12784 1 20 . 1 1 123 123 SER N N 123 117.273 117.273 118.050 -0.777 19751 12785 1 20 . 1 1 123 123 SER HA H 123 4.430 4.430 4.598 -0.168 19751 12786 1 20 . 1 1 123 123 SER C C 123 175.066 175.066 174.528 0.538 19751 12787 1 20 . 1 1 123 123 SER CA C 123 58.499 58.499 57.981 0.518 19751 12788 1 20 . 1 1 123 123 SER CB C 123 63.946 63.946 62.600 1.346 19751 12789 1 20 . 1 1 123 123 SER H H 123 8.496 8.496 8.586 -0.090 19751 12790 1 20 . 1 1 124 124 GLY N N 124 111.280 111.280 108.769 2.511 19751 12791 1 20 . 1 1 124 124 GLY C C 124 174.099 174.099 173.928 0.171 19751 12792 1 20 . 1 1 124 124 GLY CA C 124 45.379 45.379 46.150 -0.771 19751 12793 1 20 . 1 1 124 124 GLY H H 124 8.566 8.566 7.744 0.822 19751 12794 1 20 . 1 1 125 125 ALA N N 125 123.586 123.586 123.507 0.079 19751 12795 1 20 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.579 -0.272 19751 12796 1 20 . 1 1 125 125 ALA C C 125 177.915 177.915 177.306 0.609 19751 12797 1 20 . 1 1 125 125 ALA CA C 125 52.617 52.617 51.822 0.795 19751 12798 1 20 . 1 1 125 125 ALA CB C 125 19.308 19.308 17.560 1.748 19751 12799 1 20 . 1 1 125 125 ALA H H 125 8.158 8.158 8.101 0.057 19751 12800 1 20 . 1 1 126 126 GLU N N 126 120.076 120.076 119.149 0.927 19751 12801 1 20 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.285 0.066 19751 12802 1 20 . 1 1 126 126 GLU C C 126 176.544 176.544 176.177 0.367 19751 12803 1 20 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.462 1.421 19751 12804 1 20 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.200 0.411 19751 12805 1 20 . 1 1 126 126 GLU H H 126 8.524 8.524 7.933 0.591 19751 12806 1 20 . 1 1 127 127 GLN N N 127 121.453 121.453 118.689 2.764 19751 12807 1 20 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.595 -0.288 19751 12808 1 20 . 1 1 127 127 GLN C C 127 175.691 175.691 174.671 1.020 19751 12809 1 20 . 1 1 127 127 GLN CA C 127 55.580 55.580 54.730 0.850 19751 12810 1 20 . 1 1 127 127 GLN CB C 127 29.703 29.703 31.449 -1.746 19751 12811 1 20 . 1 1 127 127 GLN H H 127 8.356 8.356 8.551 -0.195 19751 12812 1 20 . 1 1 128 128 GLN N N 128 122.570 122.570 119.879 2.691 19751 12813 1 20 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.656 -0.071 19751 12814 1 20 . 1 1 128 128 GLN CA C 128 53.744 53.744 53.785 -0.041 19751 12815 1 20 . 1 1 128 128 GLN CB C 128 28.864 28.864 29.302 -0.438 19751 12816 1 20 . 1 1 128 128 GLN H H 128 8.348 8.348 8.426 -0.078 19751 12817 1 20 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.469 -0.068 19751 12818 1 20 . 1 1 129 129 PRO C C 129 175.988 175.988 176.864 -0.876 19751 12819 1 20 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.541 0.908 19751 12820 1 20 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.203 -0.246 19751 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 117 2.777 -0.135 2.785 19751 2 1 1 "Average Difference" HA 133 0.262 0.024 0.262 19751 3 1 1 "Average Difference" C 69 1.798 -0.424 1.760 19751 4 1 1 "Average Difference" CA 120 0.868 -0.225 0.841 19751 5 1 1 "Average Difference" CB 108 1.231 -0.072 1.235 19751 6 1 1 "Average Difference" HN 118 0.457 -0.159 0.431 19751 7 1 2 "Average Difference" N 117 2.394 0.198 2.396 19751 8 1 2 "Average Difference" HA 133 0.322 0.091 0.310 19751 9 1 2 "Average Difference" C 69 1.781 -0.420 1.743 19751 10 1 2 "Average Difference" CA 120 0.817 -0.224 0.789 19751 11 1 2 "Average Difference" CB 108 1.284 0.079 1.288 19751 12 1 2 "Average Difference" HN 118 0.505 -0.080 0.501 19751 13 1 3 "Average Difference" N 117 2.500 -0.078 2.509 19751 14 1 3 "Average Difference" HA 133 0.335 0.104 0.319 19751 15 1 3 "Average Difference" C 69 1.797 -0.381 1.769 19751 16 1 3 "Average Difference" CA 120 0.876 -0.290 0.830 19751 17 1 3 "Average Difference" CB 108 1.331 0.134 1.330 19751 18 1 3 "Average Difference" HN 118 0.465 -0.101 0.456 19751 19 1 4 "Average Difference" N 117 2.748 0.016 2.760 19751 20 1 4 "Average Difference" HA 133 0.316 0.080 0.307 19751 21 1 4 "Average Difference" C 69 1.818 -0.356 1.796 19751 22 1 4 "Average Difference" CA 120 0.895 -0.249 0.863 19751 23 1 4 "Average Difference" CB 108 1.265 0.035 1.271 19751 24 1 4 "Average Difference" HN 118 0.462 -0.086 0.456 19751 25 1 5 "Average Difference" N 117 2.511 -0.258 2.509 19751 26 1 5 "Average Difference" HA 133 0.280 0.026 0.280 19751 27 1 5 "Average Difference" C 69 1.757 -0.342 1.736 19751 28 1 5 "Average Difference" CA 120 0.863 -0.259 0.826 19751 29 1 5 "Average Difference" CB 108 1.231 -0.084 1.234 19751 30 1 5 "Average Difference" HN 118 0.492 -0.187 0.457 19751 31 1 6 "Average Difference" N 117 2.626 -0.250 2.625 19751 32 1 6 "Average Difference" HA 133 0.341 0.096 0.328 19751 33 1 6 "Average Difference" C 69 1.761 -0.377 1.732 19751 34 1 6 "Average Difference" CA 120 0.865 -0.255 0.829 19751 35 1 6 "Average Difference" CB 108 1.302 0.059 1.307 19751 36 1 6 "Average Difference" HN 118 0.540 -0.051 0.540 19751 37 1 7 "Average Difference" N 117 2.636 0.062 2.646 19751 38 1 7 "Average Difference" HA 133 0.292 0.053 0.289 19751 39 1 7 "Average Difference" C 69 1.752 -0.366 1.726 19751 40 1 7 "Average Difference" CA 120 0.919 -0.185 0.904 19751 41 1 7 "Average Difference" CB 108 1.286 0.003 1.292 19751 42 1 7 "Average Difference" HN 118 0.471 -0.118 0.458 19751 43 1 8 "Average Difference" N 117 2.400 -0.023 2.410 19751 44 1 8 "Average Difference" HA 133 0.326 0.102 0.311 19751 45 1 8 "Average Difference" C 69 1.771 -0.416 1.734 19751 46 1 8 "Average Difference" CA 120 0.886 -0.227 0.860 19751 47 1 8 "Average Difference" CB 108 1.231 0.120 1.231 19751 48 1 8 "Average Difference" HN 118 0.516 -0.084 0.511 19751 49 1 9 "Average Difference" N 117 2.635 -0.129 2.643 19751 50 1 9 "Average Difference" HA 133 0.286 0.078 0.276 19751 51 1 9 "Average Difference" C 69 1.819 -0.483 1.766 19751 52 1 9 "Average Difference" CA 120 0.838 -0.232 0.809 19751 53 1 9 "Average Difference" CB 108 1.182 0.059 1.186 19751 54 1 9 "Average Difference" HN 118 0.452 -0.110 0.440 19751 55 1 10 "Average Difference" N 117 2.658 -0.066 2.669 19751 56 1 10 "Average Difference" HA 133 0.317 0.085 0.306 19751 57 1 10 "Average Difference" C 69 1.867 -0.398 1.838 19751 58 1 10 "Average Difference" CA 120 0.897 -0.317 0.843 19751 59 1 10 "Average Difference" CB 108 1.325 0.134 1.324 19751 60 1 10 "Average Difference" HN 118 0.462 -0.076 0.458 19751 61 1 11 "Average Difference" N 117 2.598 0.046 2.609 19751 62 1 11 "Average Difference" HA 133 0.341 0.087 0.331 19751 63 1 11 "Average Difference" C 69 1.837 -0.444 1.796 19751 64 1 11 "Average Difference" CA 120 0.828 -0.269 0.786 19751 65 1 11 "Average Difference" CB 108 1.337 0.003 1.343 19751 66 1 11 "Average Difference" HN 118 0.526 -0.099 0.518 19751 67 1 12 "Average Difference" N 117 2.708 -0.072 2.718 19751 68 1 12 "Average Difference" HA 133 0.305 0.083 0.295 19751 69 1 12 "Average Difference" C 69 1.815 -0.435 1.775 19751 70 1 12 "Average Difference" CA 120 0.898 -0.296 0.851 19751 71 1 12 "Average Difference" CB 108 1.292 0.137 1.291 19751 72 1 12 "Average Difference" HN 118 0.470 -0.062 0.468 19751 73 1 13 "Average Difference" N 117 2.724 0.127 2.733 19751 74 1 13 "Average Difference" HA 133 0.314 0.082 0.304 19751 75 1 13 "Average Difference" C 69 1.781 -0.402 1.747 19751 76 1 13 "Average Difference" CA 120 0.845 -0.277 0.801 19751 77 1 13 "Average Difference" CB 108 1.275 0.077 1.278 19751 78 1 13 "Average Difference" HN 118 0.462 -0.074 0.457 19751 79 1 14 "Average Difference" N 117 2.553 -0.013 2.564 19751 80 1 14 "Average Difference" HA 133 0.331 0.108 0.314 19751 81 1 14 "Average Difference" C 69 1.840 -0.492 1.785 19751 82 1 14 "Average Difference" CA 120 0.804 -0.259 0.764 19751 83 1 14 "Average Difference" CB 108 1.204 0.165 1.198 19751 84 1 14 "Average Difference" HN 118 0.527 -0.055 0.527 19751 85 1 15 "Average Difference" N 117 2.765 -0.043 2.777 19751 86 1 15 "Average Difference" HA 133 0.290 0.070 0.283 19751 87 1 15 "Average Difference" C 69 1.856 -0.484 1.805 19751 88 1 15 "Average Difference" CA 120 0.904 -0.229 0.878 19751 89 1 15 "Average Difference" CB 108 1.185 0.190 1.175 19751 90 1 15 "Average Difference" HN 118 0.484 -0.090 0.477 19751 91 1 16 "Average Difference" N 117 2.633 -0.164 2.639 19751 92 1 16 "Average Difference" HA 133 0.323 0.099 0.309 19751 93 1 16 "Average Difference" C 69 1.824 -0.422 1.788 19751 94 1 16 "Average Difference" CA 120 0.891 -0.240 0.861 19751 95 1 16 "Average Difference" CB 108 1.308 0.101 1.310 19751 96 1 16 "Average Difference" HN 118 0.525 -0.048 0.525 19751 97 1 17 "Average Difference" N 117 2.467 -0.200 2.469 19751 98 1 17 "Average Difference" HA 133 0.321 0.070 0.315 19751 99 1 17 "Average Difference" C 69 1.806 -0.483 1.753 19751 100 1 17 "Average Difference" CA 120 0.881 -0.279 0.839 19751 101 1 17 "Average Difference" CB 108 1.213 -0.018 1.218 19751 102 1 17 "Average Difference" HN 118 0.461 -0.087 0.455 19751 103 1 18 "Average Difference" N 117 2.376 0.005 2.387 19751 104 1 18 "Average Difference" HA 133 0.312 0.077 0.304 19751 105 1 18 "Average Difference" C 69 1.854 -0.454 1.811 19751 106 1 18 "Average Difference" CA 120 0.843 -0.204 0.821 19751 107 1 18 "Average Difference" CB 108 1.273 0.101 1.275 19751 108 1 18 "Average Difference" HN 118 0.478 -0.110 0.467 19751 109 1 19 "Average Difference" N 117 2.549 0.146 2.556 19751 110 1 19 "Average Difference" HA 133 0.291 0.052 0.287 19751 111 1 19 "Average Difference" C 69 1.785 -0.400 1.752 19751 112 1 19 "Average Difference" CA 120 0.821 -0.198 0.800 19751 113 1 19 "Average Difference" CB 108 1.252 -0.012 1.258 19751 114 1 19 "Average Difference" HN 118 0.488 -0.106 0.478 19751 115 1 20 "Average Difference" N 117 2.713 -0.548 2.669 19751 116 1 20 "Average Difference" HA 133 0.310 0.086 0.299 19751 117 1 20 "Average Difference" C 69 1.815 -0.403 1.782 19751 118 1 20 "Average Difference" CA 120 0.891 -0.312 0.838 19751 119 1 20 "Average Difference" CB 108 1.274 0.086 1.277 19751 120 1 20 "Average Difference" HN 118 0.455 -0.110 0.443 19751 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 19751 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLU N N 2 122.196 122.196 121.789 0.407 19751 2 1 . 1 1 2 2 GLU HA H 2 4.235 4.235 4.720 -0.485 19751 3 1 . 1 1 2 2 GLU C C 2 175.712 175.712 175.367 0.345 19751 4 1 . 1 1 2 2 GLU CA C 2 56.632 56.632 56.187 0.445 19751 5 1 . 1 1 2 2 GLU CB C 2 29.971 29.971 30.578 -0.607 19751 6 1 . 1 1 2 2 GLU H H 2 8.617 8.617 8.647 -0.030 19751 7 1 . 1 1 3 3 SER N N 3 116.623 116.623 117.019 -0.396 19751 8 1 . 1 1 3 3 SER HA H 3 4.597 4.597 4.695 -0.098 19751 9 1 . 1 1 3 3 SER C C 3 174.294 174.294 173.725 0.569 19751 10 1 . 1 1 3 3 SER CA C 3 58.386 58.386 57.813 0.573 19751 11 1 . 1 1 3 3 SER CB C 3 64.039 64.039 64.267 -0.228 19751 12 1 . 1 1 3 3 SER H H 3 8.305 8.305 8.368 -0.063 19751 13 1 . 1 1 4 4 VAL N N 4 121.759 121.759 122.945 -1.186 19751 14 1 . 1 1 4 4 VAL HA H 4 4.309 4.309 4.380 -0.071 19751 15 1 . 1 1 4 4 VAL C C 4 176.177 176.177 175.136 1.041 19751 16 1 . 1 1 4 4 VAL CA C 4 61.709 61.709 62.078 -0.369 19751 17 1 . 1 1 4 4 VAL CB C 4 33.355 33.355 32.933 0.422 19751 18 1 . 1 1 4 4 VAL H H 4 8.303 8.303 8.454 -0.151 19751 19 1 . 1 1 5 5 THR N N 5 118.335 118.335 117.894 0.441 19751 20 1 . 1 1 5 5 THR HA H 5 4.592 4.592 4.479 0.114 19751 21 1 . 1 1 5 5 THR C C 5 173.579 173.579 173.786 -0.207 19751 22 1 . 1 1 5 5 THR CA C 5 62.022 62.022 62.066 -0.044 19751 23 1 . 1 1 5 5 THR CB C 5 70.047 70.047 69.325 0.722 19751 24 1 . 1 1 5 5 THR H H 5 8.319 8.319 8.153 0.166 19751 25 1 . 1 1 6 6 MET N N 6 123.858 123.858 121.963 1.895 19751 26 1 . 1 1 6 6 MET CA C 6 57.260 57.260 55.219 2.041 19751 27 1 . 1 1 6 6 MET CB C 6 33.780 33.780 33.947 -0.167 19751 28 1 . 1 1 6 6 MET H H 6 8.035 8.035 8.208 -0.173 19751 29 1 . 1 1 7 7 ASP HA H 7 4.497 4.497 4.842 -0.345 19751 30 1 . 1 1 7 7 ASP CA C 7 55.150 55.150 54.174 0.976 19751 31 1 . 1 1 7 7 ASP CB C 7 41.264 41.264 42.242 -0.978 19751 32 1 . 1 1 8 8 GLY N N 8 114.130 114.130 109.051 5.079 19751 33 1 . 1 1 8 8 GLY CA C 8 45.613 45.613 44.968 0.645 19751 34 1 . 1 1 8 8 GLY H H 8 8.386 8.386 8.299 0.087 19751 35 1 . 1 1 9 9 LYS N N 9 120.803 120.803 121.394 -0.591 19751 36 1 . 1 1 9 9 LYS HA H 9 4.344 4.344 4.595 -0.251 19751 37 1 . 1 1 9 9 LYS H H 9 8.021 8.021 8.373 -0.352 19751 38 1 . 1 1 10 10 GLN N N 10 120.522 120.522 121.043 -0.521 19751 39 1 . 1 1 10 10 GLN HA H 10 4.467 4.467 4.552 -0.085 19751 40 1 . 1 1 10 10 GLN CA C 10 55.281 55.281 55.344 -0.063 19751 41 1 . 1 1 10 10 GLN CB C 10 30.410 30.410 30.083 0.327 19751 42 1 . 1 1 10 10 GLN H H 10 8.246 8.246 8.389 -0.143 19751 43 1 . 1 1 11 11 TYR N N 11 121.213 121.213 120.832 0.381 19751 44 1 . 1 1 11 11 TYR HA H 11 4.299 4.299 5.005 -0.706 19751 45 1 . 1 1 11 11 TYR CA C 11 56.949 56.949 57.292 -0.343 19751 46 1 . 1 1 11 11 TYR CB C 11 43.274 43.274 40.388 2.886 19751 47 1 . 1 1 11 11 TYR H H 11 8.873 8.873 8.472 0.401 19751 48 1 . 1 1 12 12 SER N N 12 117.406 117.406 117.216 0.190 19751 49 1 . 1 1 12 12 SER HA H 12 4.715 4.715 4.739 -0.024 19751 50 1 . 1 1 12 12 SER CA C 12 57.374 57.374 57.879 -0.505 19751 51 1 . 1 1 12 12 SER CB C 12 63.946 63.946 64.301 -0.355 19751 52 1 . 1 1 12 12 SER H H 12 9.047 9.047 8.508 0.539 19751 53 1 . 1 1 13 13 THR N N 13 112.091 112.091 117.918 -5.827 19751 54 1 . 1 1 13 13 THR HA H 13 4.929 4.929 4.654 0.275 19751 55 1 . 1 1 13 13 THR CA C 13 60.716 60.716 62.006 -1.290 19751 56 1 . 1 1 13 13 THR CB C 13 71.808 71.808 69.765 2.043 19751 57 1 . 1 1 13 13 THR H H 13 8.235 8.235 8.242 -0.007 19751 58 1 . 1 1 14 14 ILE N N 14 120.891 120.891 122.648 -1.757 19751 59 1 . 1 1 14 14 ILE H H 14 9.108 9.108 8.176 0.932 19751 60 1 . 1 1 15 15 GLU N N 15 127.598 127.598 126.003 1.595 19751 61 1 . 1 1 15 15 GLU H H 15 8.300 8.300 8.480 -0.180 19751 62 1 . 1 1 16 16 VAL N N 16 126.224 126.224 121.791 4.433 19751 63 1 . 1 1 16 16 VAL HA H 16 4.284 4.284 4.233 0.051 19751 64 1 . 1 1 16 16 VAL CA C 16 61.835 61.835 61.543 0.292 19751 65 1 . 1 1 16 16 VAL CB C 16 34.896 34.896 33.063 1.833 19751 66 1 . 1 1 16 16 VAL H H 16 9.320 9.320 8.343 0.977 19751 67 1 . 1 1 17 17 ASN N N 17 123.394 123.394 124.782 -1.388 19751 68 1 . 1 1 17 17 ASN HA H 17 5.164 5.164 4.451 0.713 19751 69 1 . 1 1 17 17 ASN CA C 17 53.549 53.549 53.826 -0.277 19751 70 1 . 1 1 17 17 ASN CB C 17 37.215 37.215 37.522 -0.307 19751 71 1 . 1 1 17 17 ASN H H 17 9.310 9.310 9.101 0.209 19751 72 1 . 1 1 18 18 GLY H H 18 9.024 9.024 8.292 0.732 19751 73 1 . 1 1 19 19 GLN N N 19 119.994 119.994 119.440 0.554 19751 74 1 . 1 1 19 19 GLN H H 19 7.990 7.990 7.844 0.146 19751 75 1 . 1 1 20 20 THR N N 20 117.472 117.472 117.370 0.102 19751 76 1 . 1 1 20 20 THR HA H 20 4.384 4.384 4.440 -0.056 19751 77 1 . 1 1 20 20 THR CA C 20 63.334 63.334 61.731 1.603 19751 78 1 . 1 1 20 20 THR CB C 20 69.401 69.401 69.639 -0.238 19751 79 1 . 1 1 20 20 THR H H 20 8.401 8.401 8.361 0.040 19751 80 1 . 1 1 21 21 TYR N N 21 126.847 126.847 123.063 3.784 19751 81 1 . 1 1 21 21 TYR HA H 21 4.162 4.162 4.710 -0.548 19751 82 1 . 1 1 21 21 TYR CA C 21 57.487 57.487 57.515 -0.028 19751 83 1 . 1 1 21 21 TYR CB C 21 43.330 43.330 39.704 3.626 19751 84 1 . 1 1 21 21 TYR H H 21 9.367 9.367 8.265 1.102 19751 85 1 . 1 1 22 22 LEU N N 22 118.537 118.537 124.181 -5.644 19751 86 1 . 1 1 22 22 LEU HA H 22 4.192 4.192 4.770 -0.578 19751 87 1 . 1 1 22 22 LEU CA C 22 56.922 56.922 54.349 2.573 19751 88 1 . 1 1 22 22 LEU CB C 22 43.212 43.212 43.803 -0.591 19751 89 1 . 1 1 22 22 LEU H H 22 9.060 9.060 8.396 0.664 19751 90 1 . 1 1 24 24 PRO HA H 24 4.391 4.391 4.532 -0.141 19751 91 1 . 1 1 24 24 PRO CA C 24 63.334 63.334 62.846 0.488 19751 92 1 . 1 1 24 24 PRO CB C 24 32.140 32.140 32.342 -0.202 19751 93 1 . 1 1 25 25 ASP N N 25 121.554 121.554 121.780 -0.226 19751 94 1 . 1 1 25 25 ASP HA H 25 4.592 4.592 4.781 -0.189 19751 95 1 . 1 1 25 25 ASP CA C 25 54.308 54.308 53.999 0.309 19751 96 1 . 1 1 25 25 ASP CB C 25 41.087 41.087 41.767 -0.680 19751 97 1 . 1 1 25 25 ASP H H 25 8.324 8.324 8.548 -0.224 19751 98 1 . 1 1 26 26 ASN HA H 26 4.739 4.739 4.824 -0.085 19751 99 1 . 1 1 26 26 ASN CA C 26 52.656 52.656 53.298 -0.642 19751 100 1 . 1 1 26 26 ASN CB C 26 39.132 39.132 39.758 -0.626 19751 101 1 . 1 1 27 27 GLY N N 27 109.206 109.206 109.771 -0.565 19751 102 1 . 1 1 27 27 GLY CA C 27 45.414 45.414 44.775 0.639 19751 103 1 . 1 1 27 27 GLY H H 27 8.494 8.494 8.597 -0.103 19751 104 1 . 1 1 28 28 SER N N 28 116.238 116.238 116.610 -0.372 19751 105 1 . 1 1 28 28 SER HA H 28 4.384 4.384 4.703 -0.318 19751 106 1 . 1 1 28 28 SER CA C 28 60.226 60.226 57.997 2.229 19751 107 1 . 1 1 28 28 SER CB C 28 63.818 63.818 64.461 -0.643 19751 108 1 . 1 1 28 28 SER H H 28 8.372 8.372 8.427 -0.055 19751 109 1 . 1 1 29 29 LYS N N 29 121.905 121.905 123.456 -1.551 19751 110 1 . 1 1 29 29 LYS HA H 29 4.331 4.331 4.588 -0.257 19751 111 1 . 1 1 29 29 LYS CA C 29 56.353 56.353 56.216 0.137 19751 112 1 . 1 1 29 29 LYS CB C 29 33.347 33.347 33.849 -0.502 19751 113 1 . 1 1 29 29 LYS H H 29 8.027 8.027 8.444 -0.417 19751 114 1 . 1 1 30 30 LYS N N 30 122.663 122.663 122.415 0.248 19751 115 1 . 1 1 30 30 LYS HA H 30 4.294 4.294 4.519 -0.225 19751 116 1 . 1 1 30 30 LYS CA C 30 56.214 56.214 55.954 0.260 19751 117 1 . 1 1 30 30 LYS CB C 30 33.171 33.171 33.781 -0.610 19751 118 1 . 1 1 30 30 LYS H H 30 8.223 8.223 8.541 -0.318 19751 119 1 . 1 1 31 31 ARG N N 31 123.469 123.469 123.167 0.302 19751 120 1 . 1 1 31 31 ARG HA H 31 4.355 4.355 4.669 -0.314 19751 121 1 . 1 1 31 31 ARG CA C 31 56.295 56.295 55.720 0.575 19751 122 1 . 1 1 31 31 ARG CB C 31 31.854 31.854 31.016 0.838 19751 123 1 . 1 1 31 31 ARG H H 31 8.404 8.404 8.550 -0.146 19751 124 1 . 1 1 32 32 VAL N N 32 122.456 122.456 119.884 2.572 19751 125 1 . 1 1 32 32 VAL HA H 32 4.243 4.243 4.617 -0.374 19751 126 1 . 1 1 32 32 VAL CA C 32 62.316 62.316 61.662 0.654 19751 127 1 . 1 1 32 32 VAL CB C 32 32.863 32.863 33.602 -0.739 19751 128 1 . 1 1 32 32 VAL H H 32 8.214 8.214 8.452 -0.238 19751 129 1 . 1 1 33 33 ALA N N 33 127.685 127.685 128.413 -0.728 19751 130 1 . 1 1 33 33 ALA HA H 33 4.302 4.302 4.726 -0.424 19751 131 1 . 1 1 33 33 ALA CA C 33 52.617 52.617 51.900 0.718 19751 132 1 . 1 1 33 33 ALA CB C 33 19.308 19.308 20.328 -1.020 19751 133 1 . 1 1 33 33 ALA H H 33 8.374 8.374 8.372 0.002 19751 134 1 . 1 1 34 34 ARG N N 34 119.922 119.922 121.890 -1.968 19751 135 1 . 1 1 34 34 ARG HA H 34 4.323 4.323 4.701 -0.378 19751 136 1 . 1 1 34 34 ARG CA C 34 56.820 56.820 56.055 0.765 19751 137 1 . 1 1 34 34 ARG CB C 34 30.160 30.160 31.102 -0.942 19751 138 1 . 1 1 34 34 ARG H H 34 8.652 8.652 8.732 -0.080 19751 139 1 . 1 1 35 35 SER N N 35 116.881 116.881 118.776 -1.895 19751 140 1 . 1 1 35 35 SER HA H 35 4.543 4.543 4.628 -0.085 19751 141 1 . 1 1 35 35 SER CA C 35 58.440 58.440 58.021 0.419 19751 142 1 . 1 1 35 35 SER CB C 35 64.094 64.094 64.124 -0.030 19751 143 1 . 1 1 35 35 SER H H 35 8.359 8.359 8.592 -0.233 19751 144 1 . 1 1 36 36 LEU N N 36 124.595 124.595 124.640 -0.045 19751 145 1 . 1 1 36 36 LEU HA H 36 4.373 4.373 4.806 -0.433 19751 146 1 . 1 1 36 36 LEU CA C 36 55.594 55.594 55.222 0.373 19751 147 1 . 1 1 36 36 LEU CB C 36 42.278 42.278 43.604 -1.326 19751 148 1 . 1 1 36 36 LEU H H 36 8.546 8.546 8.449 0.097 19751 149 1 . 1 1 37 37 ASP N N 37 119.422 119.422 123.195 -3.773 19751 150 1 . 1 1 37 37 ASP HA H 37 4.592 4.592 5.004 -0.412 19751 151 1 . 1 1 37 37 ASP CA C 37 54.308 54.308 53.883 0.425 19751 152 1 . 1 1 37 37 ASP CB C 37 41.182 41.182 42.379 -1.196 19751 153 1 . 1 1 37 37 ASP H H 37 8.186 8.186 8.735 -0.549 19751 154 1 . 1 1 38 38 SER N N 38 116.413 116.413 117.369 -0.956 19751 155 1 . 1 1 38 38 SER HA H 38 4.450 4.450 4.754 -0.304 19751 156 1 . 1 1 38 38 SER CA C 38 58.499 58.499 58.243 0.256 19751 157 1 . 1 1 38 38 SER CB C 38 63.818 63.818 64.154 -0.336 19751 158 1 . 1 1 38 38 SER H H 38 8.177 8.177 8.525 -0.348 19751 159 1 . 1 1 39 39 LYS N N 39 123.095 123.095 123.750 -0.655 19751 160 1 . 1 1 39 39 LYS HA H 39 4.337 4.337 4.691 -0.354 19751 161 1 . 1 1 39 39 LYS CA C 39 56.679 56.679 55.948 0.731 19751 162 1 . 1 1 39 39 LYS CB C 39 32.232 32.232 33.901 -1.669 19751 163 1 . 1 1 39 39 LYS H H 39 8.379 8.379 8.458 -0.079 19751 164 1 . 1 1 40 40 VAL N N 40 122.475 122.475 121.720 0.754 19751 165 1 . 1 1 40 40 VAL HA H 40 4.388 4.388 4.298 0.090 19751 166 1 . 1 1 40 40 VAL CA C 40 60.161 60.161 60.987 -0.826 19751 167 1 . 1 1 40 40 VAL CB C 40 32.615 32.615 32.738 -0.123 19751 168 1 . 1 1 40 40 VAL H H 40 8.069 8.069 8.463 -0.394 19751 169 1 . 1 1 41 41 PRO HA H 41 4.421 4.421 4.602 -0.181 19751 170 1 . 1 1 41 41 PRO CA C 41 62.758 62.758 63.125 -0.367 19751 171 1 . 1 1 41 41 PRO CB C 41 32.307 32.307 31.314 0.993 19751 172 1 . 1 1 42 42 GLN N N 42 121.230 121.230 121.350 -0.120 19751 173 1 . 1 1 42 42 GLN HA H 42 4.279 4.279 4.452 -0.173 19751 174 1 . 1 1 42 42 GLN CA C 42 56.028 56.028 55.792 0.236 19751 175 1 . 1 1 42 42 GLN CB C 42 29.719 29.719 30.205 -0.486 19751 176 1 . 1 1 42 42 GLN H H 42 8.482 8.482 8.407 0.075 19751 177 1 . 1 1 43 43 GLN N N 43 121.831 121.831 123.632 -1.801 19751 178 1 . 1 1 43 43 GLN HA H 43 4.389 4.389 4.681 -0.292 19751 179 1 . 1 1 43 43 GLN CA C 43 55.924 55.924 56.022 -0.098 19751 180 1 . 1 1 43 43 GLN CB C 43 29.529 29.529 30.456 -0.927 19751 181 1 . 1 1 43 43 GLN H H 43 8.506 8.506 8.745 -0.239 19751 182 1 . 1 1 44 44 THR N N 44 116.251 116.251 117.511 -1.261 19751 183 1 . 1 1 44 44 THR HA H 44 4.302 4.302 4.671 -0.369 19751 184 1 . 1 1 44 44 THR CA C 44 61.922 61.922 62.014 -0.091 19751 185 1 . 1 1 44 44 THR CB C 44 69.811 69.811 69.796 0.015 19751 186 1 . 1 1 44 44 THR H H 44 8.231 8.231 8.400 -0.169 19751 187 1 . 1 1 45 45 LEU N N 45 125.046 125.046 124.979 0.067 19751 188 1 . 1 1 45 45 LEU HA H 45 4.498 4.498 4.818 -0.320 19751 189 1 . 1 1 45 45 LEU CA C 45 55.107 55.107 54.802 0.305 19751 190 1 . 1 1 45 45 LEU CB C 45 42.812 42.812 43.643 -0.831 19751 191 1 . 1 1 45 45 LEU H H 45 8.257 8.257 8.669 -0.412 19751 192 1 . 1 1 46 46 ARG N N 46 120.522 120.522 122.511 -1.989 19751 193 1 . 1 1 46 46 ARG HA H 46 4.233 4.233 4.894 -0.661 19751 194 1 . 1 1 46 46 ARG CA C 46 56.464 56.464 55.449 1.015 19751 195 1 . 1 1 46 46 ARG CB C 46 29.971 29.971 32.082 -2.111 19751 196 1 . 1 1 46 46 ARG H H 46 8.007 8.007 8.665 -0.658 19751 197 1 . 1 1 47 47 ARG N N 47 121.010 121.010 120.901 0.109 19751 198 1 . 1 1 47 47 ARG H H 47 8.324 8.324 8.899 -0.575 19751 199 1 . 1 1 48 48 GLY CA C 48 45.340 45.340 44.810 0.530 19751 200 1 . 1 1 49 49 ASP N N 49 120.513 120.513 122.686 -2.173 19751 201 1 . 1 1 49 49 ASP HA H 49 4.619 4.619 4.854 -0.235 19751 202 1 . 1 1 49 49 ASP CA C 49 54.330 54.330 53.855 0.475 19751 203 1 . 1 1 49 49 ASP CB C 49 41.163 41.163 42.323 -1.160 19751 204 1 . 1 1 49 49 ASP H H 49 8.225 8.225 8.423 -0.198 19751 205 1 . 1 1 50 50 VAL N N 50 119.718 119.718 122.131 -2.413 19751 206 1 . 1 1 50 50 VAL HA H 50 4.072 4.072 4.509 -0.437 19751 207 1 . 1 1 50 50 VAL CA C 50 62.402 62.402 61.917 0.485 19751 208 1 . 1 1 50 50 VAL CB C 50 32.794 32.794 33.370 -0.576 19751 209 1 . 1 1 50 50 VAL H H 50 8.024 8.024 8.313 -0.289 19751 210 1 . 1 1 51 51 LEU N N 51 125.249 125.249 126.179 -0.930 19751 211 1 . 1 1 51 51 LEU HA H 51 4.346 4.346 4.791 -0.445 19751 212 1 . 1 1 51 51 LEU CA C 51 55.370 55.370 54.984 0.386 19751 213 1 . 1 1 51 51 LEU CB C 51 42.379 42.379 43.475 -1.096 19751 214 1 . 1 1 51 51 LEU H H 51 8.305 8.305 8.341 -0.036 19751 215 1 . 1 1 52 52 MET HA H 52 4.458 4.458 4.788 -0.330 19751 216 1 . 1 1 52 52 MET CA C 52 55.417 55.417 55.523 -0.106 19751 217 1 . 1 1 52 52 MET CB C 52 32.264 32.264 34.152 -1.888 19751 218 1 . 1 1 53 53 GLN N N 53 121.447 121.447 122.156 -0.709 19751 219 1 . 1 1 53 53 GLN HA H 53 4.307 4.307 4.840 -0.533 19751 220 1 . 1 1 53 53 GLN CA C 53 56.214 56.214 55.697 0.517 19751 221 1 . 1 1 53 53 GLN CB C 53 29.697 29.697 30.871 -1.174 19751 222 1 . 1 1 53 53 GLN H H 53 8.373 8.373 8.869 -0.496 19751 223 1 . 1 1 54 54 GLY N N 54 110.484 110.484 109.406 1.078 19751 224 1 . 1 1 54 54 GLY CA C 54 45.250 45.250 45.011 0.239 19751 225 1 . 1 1 54 54 GLY H H 54 8.456 8.456 8.655 -0.199 19751 226 1 . 1 1 55 55 ALA N N 55 123.673 123.673 123.673 0.000 19751 227 1 . 1 1 55 55 ALA HA H 55 4.307 4.307 4.795 -0.488 19751 228 1 . 1 1 55 55 ALA C C 55 177.397 177.397 176.524 0.873 19751 229 1 . 1 1 55 55 ALA CA C 55 52.617 52.617 52.311 0.306 19751 230 1 . 1 1 55 55 ALA CB C 55 19.308 19.308 19.917 -0.609 19751 231 1 . 1 1 55 55 ALA H H 55 8.113 8.113 8.891 -0.778 19751 232 1 . 1 1 56 56 ALA N N 56 123.295 123.295 124.701 -1.406 19751 233 1 . 1 1 56 56 ALA HA H 56 4.303 4.303 4.955 -0.652 19751 234 1 . 1 1 56 56 ALA C C 56 177.446 177.446 176.141 1.305 19751 235 1 . 1 1 56 56 ALA CA C 56 52.433 52.433 52.030 0.403 19751 236 1 . 1 1 56 56 ALA CB C 56 19.308 19.308 20.356 -1.048 19751 237 1 . 1 1 56 56 ALA H H 56 8.297 8.297 8.626 -0.329 19751 238 1 . 1 1 57 57 SER N N 57 116.534 116.534 117.002 -0.468 19751 239 1 . 1 1 57 57 SER HA H 57 4.737 4.737 4.716 0.021 19751 240 1 . 1 1 57 57 SER CA C 57 56.332 56.332 57.618 -1.286 19751 241 1 . 1 1 57 57 SER CB C 57 63.567 63.567 63.405 0.162 19751 242 1 . 1 1 57 57 SER H H 57 8.258 8.258 8.598 -0.340 19751 243 1 . 1 1 58 58 PRO HA H 58 4.402 4.402 4.748 -0.346 19751 244 1 . 1 1 58 58 PRO C C 58 176.874 176.874 175.696 1.178 19751 245 1 . 1 1 58 58 PRO CA C 58 63.357 63.357 63.231 0.126 19751 246 1 . 1 1 58 58 PRO CB C 58 32.035 32.035 32.588 -0.553 19751 247 1 . 1 1 59 59 GLU N N 59 120.545 120.545 119.632 0.913 19751 248 1 . 1 1 59 59 GLU HA H 59 4.236 4.236 4.701 -0.465 19751 249 1 . 1 1 59 59 GLU C C 59 176.383 176.383 174.538 1.845 19751 250 1 . 1 1 59 59 GLU CA C 59 56.575 56.575 55.750 0.825 19751 251 1 . 1 1 59 59 GLU CB C 59 30.103 30.103 31.334 -1.231 19751 252 1 . 1 1 59 59 GLU H H 59 8.556 8.556 8.554 0.002 19751 253 1 . 1 1 60 60 LEU N N 60 122.946 122.946 121.005 1.941 19751 254 1 . 1 1 60 60 LEU HA H 60 4.444 4.444 4.710 -0.266 19751 255 1 . 1 1 60 60 LEU C C 60 177.201 177.201 174.994 2.207 19751 256 1 . 1 1 60 60 LEU CA C 60 55.120 55.120 54.922 0.198 19751 257 1 . 1 1 60 60 LEU CB C 60 42.288 42.288 43.491 -1.203 19751 258 1 . 1 1 60 60 LEU H H 60 8.205 8.205 8.388 -0.183 19751 259 1 . 1 1 61 61 THR N N 61 115.168 115.168 116.561 -1.393 19751 260 1 . 1 1 61 61 THR HA H 61 4.380 4.380 4.627 -0.247 19751 261 1 . 1 1 61 61 THR C C 61 174.201 174.201 173.017 1.183 19751 262 1 . 1 1 61 61 THR CA C 61 61.792 61.792 62.094 -0.302 19751 263 1 . 1 1 61 61 THR CB C 61 69.770 69.770 69.725 0.045 19751 264 1 . 1 1 61 61 THR H H 61 8.149 8.149 8.305 -0.156 19751 265 1 . 1 1 62 62 VAL N N 62 121.650 121.650 124.550 -2.900 19751 266 1 . 1 1 62 62 VAL HA H 62 4.319 4.319 4.383 -0.064 19751 267 1 . 1 1 62 62 VAL C C 62 175.921 175.921 173.771 2.150 19751 268 1 . 1 1 62 62 VAL CA C 62 61.709 61.709 61.137 0.572 19751 269 1 . 1 1 62 62 VAL CB C 62 33.355 33.355 34.410 -1.055 19751 270 1 . 1 1 62 62 VAL H H 62 8.091 8.091 8.190 -0.099 19751 271 1 . 1 1 63 63 SER N N 63 120.076 120.076 119.312 0.764 19751 272 1 . 1 1 63 63 SER HA H 63 4.542 4.542 4.708 -0.166 19751 273 1 . 1 1 63 63 SER C C 63 174.254 174.254 173.158 1.096 19751 274 1 . 1 1 63 63 SER CA C 63 58.375 58.375 57.782 0.593 19751 275 1 . 1 1 63 63 SER CB C 63 64.196 64.196 65.094 -0.898 19751 276 1 . 1 1 63 63 SER H H 63 8.524 8.524 8.330 0.194 19751 277 1 . 1 1 64 64 GLY N N 64 109.912 109.912 110.772 -0.860 19751 278 1 . 1 1 64 64 GLY CA C 64 45.384 45.384 45.866 -0.482 19751 279 1 . 1 1 64 64 GLY H H 64 8.255 8.255 8.541 -0.286 19751 280 1 . 1 1 65 65 THR N N 65 114.200 114.200 115.880 -1.680 19751 281 1 . 1 1 65 65 THR HA H 65 4.929 4.929 5.163 -0.234 19751 282 1 . 1 1 65 65 THR CA C 65 60.826 60.826 61.492 -0.666 19751 283 1 . 1 1 65 65 THR CB C 65 71.805 71.805 72.507 -0.702 19751 284 1 . 1 1 65 65 THR H H 65 8.468 8.468 8.155 0.313 19751 285 1 . 1 1 66 66 LEU N N 66 122.673 122.673 123.069 -0.396 19751 286 1 . 1 1 66 66 LEU HA H 66 4.921 4.921 4.810 0.111 19751 287 1 . 1 1 66 66 LEU C C 66 174.364 174.364 174.452 -0.088 19751 288 1 . 1 1 66 66 LEU CA C 66 53.410 53.410 54.354 -0.944 19751 289 1 . 1 1 66 66 LEU CB C 66 44.450 44.450 45.916 -1.466 19751 290 1 . 1 1 66 66 LEU H H 66 9.054 9.054 8.836 0.218 19751 291 1 . 1 1 67 67 LEU N N 67 124.219 124.219 126.491 -2.272 19751 292 1 . 1 1 67 67 LEU HA H 67 5.208 5.208 4.856 0.352 19751 293 1 . 1 1 67 67 LEU C C 67 177.107 177.107 175.777 1.330 19751 294 1 . 1 1 67 67 LEU CA C 67 53.773 53.773 54.142 -0.369 19751 295 1 . 1 1 67 67 LEU CB C 67 42.206 42.206 41.389 0.817 19751 296 1 . 1 1 67 67 LEU H H 67 8.927 8.927 9.096 -0.169 19751 297 1 . 1 1 68 68 VAL N N 68 121.113 121.113 125.349 -4.236 19751 298 1 . 1 1 68 68 VAL HA H 68 4.856 4.856 4.287 0.569 19751 299 1 . 1 1 68 68 VAL C C 68 174.079 174.079 174.318 -0.239 19751 300 1 . 1 1 68 68 VAL CA C 68 59.858 59.858 60.002 -0.144 19751 301 1 . 1 1 68 68 VAL CB C 68 35.015 35.015 34.847 0.168 19751 302 1 . 1 1 68 68 VAL H H 68 9.345 9.345 8.821 0.524 19751 303 1 . 1 1 69 69 GLU N N 69 127.682 127.682 130.776 -3.094 19751 304 1 . 1 1 69 69 GLU HA H 69 4.899 4.899 4.617 0.282 19751 305 1 . 1 1 69 69 GLU C C 69 173.485 173.485 174.916 -1.431 19751 306 1 . 1 1 69 69 GLU CA C 69 55.347 55.347 56.341 -0.994 19751 307 1 . 1 1 69 69 GLU CB C 69 28.971 28.971 28.647 0.324 19751 308 1 . 1 1 69 69 GLU H H 69 8.110 8.110 8.625 -0.515 19751 309 1 . 1 1 70 70 ALA N N 70 130.042 130.042 127.990 2.052 19751 310 1 . 1 1 70 70 ALA HA H 70 4.564 4.564 4.530 0.034 19751 311 1 . 1 1 70 70 ALA C C 70 174.853 174.853 175.457 -0.604 19751 312 1 . 1 1 70 70 ALA CA C 70 51.704 51.704 51.392 0.312 19751 313 1 . 1 1 70 70 ALA CB C 70 21.431 21.431 21.077 0.354 19751 314 1 . 1 1 70 70 ALA H H 70 7.991 7.991 7.717 0.274 19751 315 1 . 1 1 71 71 ASP N N 71 117.021 117.021 119.440 -2.419 19751 316 1 . 1 1 71 71 ASP HA H 71 4.580 4.580 4.696 -0.116 19751 317 1 . 1 1 71 71 ASP C C 71 175.160 175.160 176.911 -1.751 19751 318 1 . 1 1 71 71 ASP CA C 71 53.043 53.043 53.636 -0.593 19751 319 1 . 1 1 71 71 ASP CB C 71 40.922 40.922 42.536 -1.614 19751 320 1 . 1 1 71 71 ASP H H 71 8.025 8.025 8.401 -0.376 19751 321 1 . 1 1 72 72 ASP N N 72 119.867 119.867 120.615 -0.748 19751 322 1 . 1 1 72 72 ASP HA H 72 4.123 4.123 3.668 0.455 19751 323 1 . 1 1 72 72 ASP C C 72 177.598 177.598 177.402 0.196 19751 324 1 . 1 1 72 72 ASP CA C 72 58.457 58.457 57.481 0.976 19751 325 1 . 1 1 72 72 ASP CB C 72 39.989 39.989 40.555 -0.566 19751 326 1 . 1 1 72 72 ASP H H 72 8.644 8.644 8.665 -0.021 19751 327 1 . 1 1 73 73 ALA N N 73 120.735 120.735 120.860 -0.125 19751 328 1 . 1 1 73 73 ALA HA H 73 3.952 3.952 4.045 -0.092 19751 329 1 . 1 1 73 73 ALA C C 73 181.711 181.711 179.861 1.850 19751 330 1 . 1 1 73 73 ALA CA C 73 55.357 55.357 54.806 0.551 19751 331 1 . 1 1 73 73 ALA CB C 73 17.821 17.821 18.286 -0.465 19751 332 1 . 1 1 73 73 ALA H H 73 8.212 8.212 8.297 -0.085 19751 333 1 . 1 1 74 74 SER N N 74 116.971 116.971 113.946 3.025 19751 334 1 . 1 1 74 74 SER HA H 74 4.207 4.207 4.218 -0.011 19751 335 1 . 1 1 74 74 SER C C 74 176.918 176.918 176.231 0.687 19751 336 1 . 1 1 74 74 SER CA C 74 61.632 61.632 60.438 1.194 19751 337 1 . 1 1 74 74 SER CB C 74 62.233 62.233 63.093 -0.859 19751 338 1 . 1 1 74 74 SER H H 74 8.376 8.376 7.627 0.749 19751 339 1 . 1 1 75 75 ALA N N 75 124.844 124.844 125.256 -0.412 19751 340 1 . 1 1 75 75 ALA HA H 75 3.822 3.822 3.779 0.043 19751 341 1 . 1 1 75 75 ALA C C 75 179.160 179.160 178.984 0.176 19751 342 1 . 1 1 75 75 ALA CA C 75 55.301 55.301 55.215 0.086 19751 343 1 . 1 1 75 75 ALA CB C 75 18.512 18.512 17.673 0.839 19751 344 1 . 1 1 75 75 ALA H H 75 9.121 9.121 7.697 1.424 19751 345 1 . 1 1 76 76 LYS N N 76 117.821 117.821 117.896 -0.075 19751 346 1 . 1 1 76 76 LYS HA H 76 3.805 3.805 3.988 -0.183 19751 347 1 . 1 1 76 76 LYS C C 76 179.175 179.175 178.569 0.606 19751 348 1 . 1 1 76 76 LYS CA C 76 60.138 60.138 59.304 0.834 19751 349 1 . 1 1 76 76 LYS CB C 76 32.362 32.362 31.819 0.543 19751 350 1 . 1 1 76 76 LYS H H 76 8.306 8.306 7.795 0.511 19751 351 1 . 1 1 77 77 ALA N N 77 122.703 122.703 121.412 1.291 19751 352 1 . 1 1 77 77 ALA HA H 77 4.190 4.190 4.130 0.060 19751 353 1 . 1 1 77 77 ALA C C 77 180.868 180.868 179.734 1.134 19751 354 1 . 1 1 77 77 ALA CA C 77 55.152 55.152 54.644 0.508 19751 355 1 . 1 1 77 77 ALA CB C 77 17.832 17.832 18.238 -0.406 19751 356 1 . 1 1 77 77 ALA H H 77 7.584 7.584 7.533 0.051 19751 357 1 . 1 1 78 78 LEU N N 78 120.574 120.574 118.638 1.936 19751 358 1 . 1 1 78 78 LEU HA H 78 4.036 4.036 4.076 -0.040 19751 359 1 . 1 1 78 78 LEU C C 78 178.870 178.870 179.117 -0.247 19751 360 1 . 1 1 78 78 LEU CA C 78 57.888 57.888 56.976 0.912 19751 361 1 . 1 1 78 78 LEU CB C 78 42.479 42.479 41.952 0.527 19751 362 1 . 1 1 78 78 LEU H H 78 8.338 8.338 7.802 0.535 19751 363 1 . 1 1 79 79 ALA N N 79 121.156 121.156 121.516 -0.360 19751 364 1 . 1 1 79 79 ALA HA H 79 3.895 3.895 4.111 -0.216 19751 365 1 . 1 1 79 79 ALA C C 79 179.393 179.393 179.023 0.370 19751 366 1 . 1 1 79 79 ALA CA C 79 55.760 55.760 55.285 0.475 19751 367 1 . 1 1 79 79 ALA CB C 79 17.256 17.256 18.419 -1.163 19751 368 1 . 1 1 79 79 ALA H H 79 8.491 8.491 8.521 -0.030 19751 369 1 . 1 1 80 80 THR N N 80 114.097 114.097 112.085 2.012 19751 370 1 . 1 1 80 80 THR HA H 80 4.048 4.048 4.255 -0.207 19751 371 1 . 1 1 80 80 THR C C 80 177.034 177.034 176.361 0.673 19751 372 1 . 1 1 80 80 THR CA C 80 66.139 66.139 65.490 0.649 19751 373 1 . 1 1 80 80 THR CB C 80 69.243 69.243 69.039 0.204 19751 374 1 . 1 1 80 80 THR H H 80 8.111 8.111 7.776 0.335 19751 375 1 . 1 1 81 81 ARG N N 81 121.321 121.321 120.300 1.021 19751 376 1 . 1 1 81 81 ARG HA H 81 3.943 3.943 4.147 -0.204 19751 377 1 . 1 1 81 81 ARG C C 81 177.546 177.546 178.058 -0.512 19751 378 1 . 1 1 81 81 ARG CA C 81 59.040 59.040 58.410 0.630 19751 379 1 . 1 1 81 81 ARG CB C 81 30.723 30.723 30.347 0.376 19751 380 1 . 1 1 81 81 ARG H H 81 7.893 7.893 7.585 0.308 19751 381 1 . 1 1 82 82 HIS N N 82 113.320 113.320 114.683 -1.363 19751 382 1 . 1 1 82 82 HIS HA H 82 4.709 4.709 4.526 0.183 19751 383 1 . 1 1 82 82 HIS C C 82 174.918 174.918 176.047 -1.129 19751 384 1 . 1 1 82 82 HIS CA C 82 56.162 56.162 57.002 -0.840 19751 385 1 . 1 1 82 82 HIS CB C 82 31.508 31.508 30.414 1.094 19751 386 1 . 1 1 82 82 HIS H H 82 7.684 7.684 7.919 -0.235 19751 387 1 . 1 1 83 83 GLY N N 83 109.763 109.763 106.280 3.483 19751 388 1 . 1 1 83 83 GLY C C 83 174.866 174.866 174.168 0.698 19751 389 1 . 1 1 83 83 GLY CA C 83 47.277 47.277 44.961 2.317 19751 390 1 . 1 1 83 83 GLY H H 83 7.707 7.707 7.702 0.005 19751 391 1 . 1 1 84 84 LEU N N 84 119.225 119.225 119.162 0.063 19751 392 1 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.556 0.278 19751 393 1 . 1 1 84 84 LEU C C 84 174.880 174.880 176.368 -1.488 19751 394 1 . 1 1 84 84 LEU CA C 84 52.869 52.869 54.074 -1.205 19751 395 1 . 1 1 84 84 LEU CB C 84 45.083 45.083 42.740 2.343 19751 396 1 . 1 1 84 84 LEU H H 84 8.672 8.672 7.312 1.360 19751 397 1 . 1 1 85 85 ASN N N 85 117.042 117.042 117.200 -0.158 19751 398 1 . 1 1 85 85 ASN HA H 85 5.168 5.168 4.897 0.271 19751 399 1 . 1 1 85 85 ASN C C 85 175.212 175.212 174.082 1.130 19751 400 1 . 1 1 85 85 ASN CA C 85 51.858 51.858 52.198 -0.340 19751 401 1 . 1 1 85 85 ASN CB C 85 40.882 40.882 40.810 0.072 19751 402 1 . 1 1 85 85 ASN H H 85 8.955 8.955 8.324 0.631 19751 403 1 . 1 1 86 86 PHE N N 86 126.957 126.957 126.931 0.026 19751 404 1 . 1 1 86 86 PHE HA H 86 4.441 4.441 4.495 -0.054 19751 405 1 . 1 1 86 86 PHE C C 86 173.744 173.744 174.894 -1.150 19751 406 1 . 1 1 86 86 PHE CA C 86 58.606 58.606 57.841 0.765 19751 407 1 . 1 1 86 86 PHE CB C 86 39.064 39.064 38.971 0.093 19751 408 1 . 1 1 86 86 PHE H H 86 9.221 9.221 8.956 0.265 19751 409 1 . 1 1 87 87 LYS N N 87 129.305 129.305 128.124 1.181 19751 410 1 . 1 1 87 87 LYS HA H 87 4.351 4.351 4.132 0.219 19751 411 1 . 1 1 87 87 LYS C C 87 175.203 175.203 175.852 -0.649 19751 412 1 . 1 1 87 87 LYS CA C 87 56.697 56.697 56.862 -0.165 19751 413 1 . 1 1 87 87 LYS CB C 87 33.574 33.574 33.523 0.051 19751 414 1 . 1 1 87 87 LYS H H 87 8.397 8.397 8.720 -0.323 19751 415 1 . 1 1 88 88 GLN N N 88 110.785 110.785 114.977 -4.192 19751 416 1 . 1 1 88 88 GLN HA H 88 4.391 4.391 4.317 0.074 19751 417 1 . 1 1 88 88 GLN C C 88 185.308 185.308 173.592 11.716 19751 418 1 . 1 1 88 88 GLN CA C 88 54.753 54.753 54.822 -0.069 19751 419 1 . 1 1 88 88 GLN H H 88 6.855 6.855 7.751 -0.896 19751 420 1 . 1 1 89 89 SER N N 89 113.927 113.927 114.673 -0.746 19751 421 1 . 1 1 89 89 SER HA H 89 5.298 5.298 5.297 0.001 19751 422 1 . 1 1 89 89 SER C C 89 173.757 173.757 174.137 -0.380 19751 423 1 . 1 1 89 89 SER CA C 89 56.776 56.776 56.948 -0.172 19751 424 1 . 1 1 89 89 SER CB C 89 67.417 67.417 66.079 1.338 19751 425 1 . 1 1 89 89 SER H H 89 8.718 8.718 8.462 0.256 19751 426 1 . 1 1 90 90 SER N N 90 114.246 114.246 117.933 -3.687 19751 427 1 . 1 1 90 90 SER HA H 90 4.597 4.597 4.653 -0.056 19751 428 1 . 1 1 90 90 SER CA C 90 58.356 58.356 57.942 0.414 19751 429 1 . 1 1 90 90 SER CB C 90 63.952 63.952 63.156 0.795 19751 430 1 . 1 1 90 90 SER H H 90 8.479 8.479 8.577 -0.098 19751 431 1 . 1 1 91 91 GLY N N 91 116.101 116.101 110.345 5.756 19751 432 1 . 1 1 91 91 GLY C C 91 174.853 174.853 174.746 0.107 19751 433 1 . 1 1 91 91 GLY CA C 91 47.155 47.155 45.310 1.845 19751 434 1 . 1 1 91 91 GLY H H 91 8.490 8.490 8.239 0.251 19751 435 1 . 1 1 92 92 GLY N N 92 107.199 107.199 107.751 -0.552 19751 436 1 . 1 1 92 92 GLY CA C 92 44.666 44.666 45.146 -0.480 19751 437 1 . 1 1 92 92 GLY H H 92 8.914 8.914 8.128 0.786 19751 438 1 . 1 1 93 93 ILE N N 93 118.958 118.958 116.412 2.546 19751 439 1 . 1 1 93 93 ILE HA H 93 4.738 4.738 4.923 -0.185 19751 440 1 . 1 1 93 93 ILE C C 93 175.050 175.050 173.598 1.452 19751 441 1 . 1 1 93 93 ILE CA C 93 58.535 58.535 59.343 -0.808 19751 442 1 . 1 1 93 93 ILE CB C 93 38.109 38.109 40.857 -2.748 19751 443 1 . 1 1 93 93 ILE H H 93 7.540 7.540 7.578 -0.038 19751 444 1 . 1 1 94 94 ALA N N 94 131.032 131.032 128.652 2.380 19751 445 1 . 1 1 94 94 ALA HA H 94 4.728 4.728 5.179 -0.451 19751 446 1 . 1 1 94 94 ALA C C 94 174.512 174.512 177.317 -2.805 19751 447 1 . 1 1 94 94 ALA CA C 94 50.438 50.438 50.289 0.149 19751 448 1 . 1 1 94 94 ALA CB C 94 21.812 21.812 19.947 1.865 19751 449 1 . 1 1 94 94 ALA H H 94 9.561 9.561 9.120 0.441 19751 450 1 . 1 1 95 95 LEU N N 95 123.066 123.066 124.451 -1.385 19751 451 1 . 1 1 95 95 LEU HA H 95 4.963 4.963 4.893 0.071 19751 452 1 . 1 1 95 95 LEU C C 95 174.922 174.922 175.932 -1.010 19751 453 1 . 1 1 95 95 LEU CA C 95 54.515 54.515 54.404 0.111 19751 454 1 . 1 1 95 95 LEU CB C 95 43.205 43.205 40.683 2.522 19751 455 1 . 1 1 95 95 LEU H H 95 8.641 8.641 8.397 0.244 19751 456 1 . 1 1 96 96 LEU N N 96 124.843 124.843 124.470 0.373 19751 457 1 . 1 1 96 96 LEU HA H 96 5.171 5.171 5.034 0.137 19751 458 1 . 1 1 96 96 LEU C C 96 175.059 175.059 177.041 -1.982 19751 459 1 . 1 1 96 96 LEU CA C 96 52.639 52.639 53.471 -0.832 19751 460 1 . 1 1 96 96 LEU CB C 96 44.269 44.269 43.259 1.009 19751 461 1 . 1 1 96 96 LEU H H 96 9.235 9.235 8.801 0.434 19751 462 1 . 1 1 97 97 GLU N N 97 121.306 121.306 120.660 0.646 19751 463 1 . 1 1 97 97 GLU HA H 97 4.859 4.859 4.663 0.196 19751 464 1 . 1 1 97 97 GLU C C 97 175.343 175.343 175.486 -0.143 19751 465 1 . 1 1 97 97 GLU CA C 97 55.091 55.091 54.906 0.184 19751 466 1 . 1 1 97 97 GLU CB C 97 33.415 33.415 30.910 2.505 19751 467 1 . 1 1 97 97 GLU H H 97 9.113 9.113 8.514 0.599 19751 468 1 . 1 1 98 98 ALA N N 98 126.658 126.658 128.055 -1.397 19751 469 1 . 1 1 98 98 ALA HA H 98 4.774 4.774 4.347 0.427 19751 470 1 . 1 1 98 98 ALA C C 98 176.880 176.880 177.018 -0.138 19751 471 1 . 1 1 98 98 ALA CA C 98 50.595 50.595 51.539 -0.944 19751 472 1 . 1 1 98 98 ALA CB C 98 21.383 21.383 19.703 1.680 19751 473 1 . 1 1 98 98 ALA H H 98 8.731 8.731 8.512 0.219 19751 474 1 . 1 1 99 99 LYS N N 99 121.674 121.674 122.855 -1.181 19751 475 1 . 1 1 99 99 LYS H H 99 8.636 8.636 8.240 0.396 19751 476 1 . 1 1 100 100 PRO HA H 100 4.462 4.462 4.237 0.225 19751 477 1 . 1 1 100 100 PRO CA C 100 63.488 63.488 63.678 -0.190 19751 478 1 . 1 1 100 100 PRO CB C 100 32.186 32.186 30.896 1.290 19751 479 1 . 1 1 101 101 GLY N N 101 110.695 110.695 114.502 -3.807 19751 480 1 . 1 1 101 101 GLY C C 101 174.676 174.676 174.425 0.251 19751 481 1 . 1 1 101 101 GLY CA C 101 45.183 45.183 44.885 0.298 19751 482 1 . 1 1 101 101 GLY H H 101 8.709 8.709 8.429 0.280 19751 483 1 . 1 1 102 102 THR N N 102 116.771 116.771 118.626 -1.855 19751 484 1 . 1 1 102 102 THR HA H 102 4.134 4.134 4.367 -0.233 19751 485 1 . 1 1 102 102 THR CA C 102 62.998 62.998 62.817 0.181 19751 486 1 . 1 1 102 102 THR CB C 102 69.736 69.736 69.580 0.156 19751 487 1 . 1 1 102 102 THR H H 102 7.652 7.652 7.580 0.072 19751 488 1 . 1 1 103 103 ASP N N 103 125.950 125.950 127.706 -1.756 19751 489 1 . 1 1 103 103 ASP HA H 103 4.704 4.704 4.766 -0.062 19751 490 1 . 1 1 103 103 ASP C C 103 175.907 175.907 177.256 -1.349 19751 491 1 . 1 1 103 103 ASP CA C 103 52.747 52.747 53.927 -1.180 19751 492 1 . 1 1 103 103 ASP CB C 103 39.987 39.987 39.096 0.891 19751 493 1 . 1 1 103 103 ASP H H 103 8.849 8.849 8.750 0.099 19751 494 1 . 1 1 104 104 LEU N N 104 127.195 127.195 119.827 7.368 19751 495 1 . 1 1 104 104 LEU HA H 104 3.871 3.871 3.874 -0.003 19751 496 1 . 1 1 104 104 LEU C C 104 178.528 178.528 177.952 0.577 19751 497 1 . 1 1 104 104 LEU CA C 104 57.428 57.428 58.251 -0.823 19751 498 1 . 1 1 104 104 LEU CB C 104 42.182 42.182 41.383 0.799 19751 499 1 . 1 1 104 104 LEU H H 104 8.464 8.464 7.616 0.848 19751 500 1 . 1 1 105 105 ASN N N 105 116.748 116.748 117.057 -0.309 19751 501 1 . 1 1 105 105 ASN HA H 105 4.337 4.337 4.322 0.015 19751 502 1 . 1 1 105 105 ASN C C 105 177.999 177.999 176.851 1.148 19751 503 1 . 1 1 105 105 ASN CA C 105 56.542 56.542 56.391 0.151 19751 504 1 . 1 1 105 105 ASN CB C 105 38.225 38.225 37.893 0.332 19751 505 1 . 1 1 105 105 ASN H H 105 8.225 8.225 8.438 -0.214 19751 506 1 . 1 1 106 106 ALA N N 106 123.704 123.704 121.583 2.121 19751 507 1 . 1 1 106 106 ALA HA H 106 4.086 4.086 4.184 -0.098 19751 508 1 . 1 1 106 106 ALA C C 106 181.021 181.021 179.142 1.879 19751 509 1 . 1 1 106 106 ALA CA C 106 54.884 54.884 54.203 0.681 19751 510 1 . 1 1 106 106 ALA CB C 106 17.983 17.983 18.669 -0.686 19751 511 1 . 1 1 106 106 ALA H H 106 7.810 7.810 7.509 0.301 19751 512 1 . 1 1 107 107 ILE N N 107 118.676 118.676 119.366 -0.690 19751 513 1 . 1 1 107 107 ILE HA H 107 3.654 3.654 3.479 0.175 19751 514 1 . 1 1 107 107 ILE C C 107 177.324 177.324 178.183 -0.859 19751 515 1 . 1 1 107 107 ILE CA C 107 63.835 63.835 64.689 -0.854 19751 516 1 . 1 1 107 107 ILE CB C 107 37.607 37.607 37.405 0.202 19751 517 1 . 1 1 107 107 ILE H H 107 7.582 7.582 7.459 0.123 19751 518 1 . 1 1 108 108 ALA N N 108 122.550 122.550 121.780 0.770 19751 519 1 . 1 1 108 108 ALA HA H 108 3.801 3.801 3.925 -0.124 19751 520 1 . 1 1 108 108 ALA CA C 108 56.078 56.078 55.366 0.712 19751 521 1 . 1 1 108 108 ALA CB C 108 17.937 17.937 17.863 0.074 19751 522 1 . 1 1 108 108 ALA H H 108 8.551 8.551 7.769 0.782 19751 523 1 . 1 1 109 109 THR N N 109 113.975 113.975 112.832 1.143 19751 524 1 . 1 1 109 109 THR HA H 109 3.806 3.806 4.011 -0.205 19751 525 1 . 1 1 109 109 THR C C 109 176.632 176.632 176.453 0.179 19751 526 1 . 1 1 109 109 THR CA C 109 67.362 67.362 66.310 1.052 19751 527 1 . 1 1 109 109 THR CB C 109 68.554 68.554 68.468 0.087 19751 528 1 . 1 1 109 109 THR H H 109 8.197 8.197 7.595 0.602 19751 529 1 . 1 1 110 110 LYS N N 110 123.603 123.603 120.432 3.171 19751 530 1 . 1 1 110 110 LYS HA H 110 4.077 4.077 4.231 -0.154 19751 531 1 . 1 1 110 110 LYS C C 110 179.640 179.640 177.838 1.802 19751 532 1 . 1 1 110 110 LYS CA C 110 59.365 59.365 58.051 1.314 19751 533 1 . 1 1 110 110 LYS CB C 110 32.071 32.071 32.324 -0.253 19751 534 1 . 1 1 110 110 LYS H H 110 7.656 7.656 7.848 -0.192 19751 535 1 . 1 1 111 111 LEU N N 111 120.492 120.492 119.171 1.321 19751 536 1 . 1 1 111 111 LEU HA H 111 3.857 3.857 4.228 -0.371 19751 537 1 . 1 1 111 111 LEU C C 111 179.289 179.289 178.941 0.348 19751 538 1 . 1 1 111 111 LEU CA C 111 58.115 58.115 57.608 0.507 19751 539 1 . 1 1 111 111 LEU CB C 111 41.115 41.115 41.927 -0.812 19751 540 1 . 1 1 111 111 LEU H H 111 8.441 8.441 7.459 0.982 19751 541 1 . 1 1 112 112 LYS N N 112 120.305 120.305 118.564 1.741 19751 542 1 . 1 1 112 112 LYS HA H 112 4.441 4.441 4.235 0.206 19751 543 1 . 1 1 112 112 LYS C C 112 181.574 181.574 178.813 2.761 19751 544 1 . 1 1 112 112 LYS CA C 112 59.611 59.611 58.932 0.679 19751 545 1 . 1 1 112 112 LYS CB C 112 32.293 32.293 31.962 0.331 19751 546 1 . 1 1 112 112 LYS H H 112 8.452 8.452 8.231 0.221 19751 547 1 . 1 1 113 113 SER N N 113 116.992 116.992 114.092 2.900 19751 548 1 . 1 1 113 113 SER HA H 113 4.389 4.389 4.258 0.131 19751 549 1 . 1 1 113 113 SER C C 113 175.200 175.200 175.885 -0.685 19751 550 1 . 1 1 113 113 SER CA C 113 61.260 61.260 60.677 0.583 19751 551 1 . 1 1 113 113 SER CB C 113 62.863 62.863 63.030 -0.167 19751 552 1 . 1 1 113 113 SER H H 113 7.995 7.995 7.817 0.178 19751 553 1 . 1 1 114 114 GLU N N 114 120.677 120.677 118.624 2.053 19751 554 1 . 1 1 114 114 GLU HA H 114 4.431 4.431 4.374 0.057 19751 555 1 . 1 1 114 114 GLU C C 114 176.506 176.506 176.874 -0.368 19751 556 1 . 1 1 114 114 GLU CA C 114 56.312 56.312 56.553 -0.240 19751 557 1 . 1 1 114 114 GLU CB C 114 29.397 29.397 30.750 -1.353 19751 558 1 . 1 1 114 114 GLU H H 114 7.577 7.577 7.912 -0.335 19751 559 1 . 1 1 115 115 GLY N N 115 107.383 107.383 107.706 -0.323 19751 560 1 . 1 1 115 115 GLY C C 115 174.019 174.019 173.654 0.365 19751 561 1 . 1 1 115 115 GLY CA C 115 45.498 45.498 44.713 0.785 19751 562 1 . 1 1 115 115 GLY H H 115 7.947 7.947 7.703 0.244 19751 563 1 . 1 1 116 116 VAL N N 116 121.389 121.389 120.418 0.971 19751 564 1 . 1 1 116 116 VAL HA H 116 4.132 4.132 4.196 -0.064 19751 565 1 . 1 1 116 116 VAL C C 116 175.092 175.092 174.727 0.365 19751 566 1 . 1 1 116 116 VAL CA C 116 61.077 61.077 60.622 0.455 19751 567 1 . 1 1 116 116 VAL CB C 116 33.043 33.043 32.817 0.226 19751 568 1 . 1 1 116 116 VAL H H 116 7.704 7.704 7.431 0.273 19751 569 1 . 1 1 117 117 ASN N N 117 125.670 125.670 126.576 -0.906 19751 570 1 . 1 1 117 117 ASN HA H 117 4.794 4.794 4.848 -0.054 19751 571 1 . 1 1 117 117 ASN C C 117 173.847 173.847 174.017 -0.170 19751 572 1 . 1 1 117 117 ASN CA C 117 53.204 53.204 53.190 0.014 19751 573 1 . 1 1 117 117 ASN CB C 117 38.001 38.001 38.860 -0.859 19751 574 1 . 1 1 117 117 ASN H H 117 9.161 9.161 8.616 0.545 19751 575 1 . 1 1 118 118 VAL N N 118 121.648 121.648 118.859 2.789 19751 576 1 . 1 1 118 118 VAL HA H 118 5.273 5.273 5.034 0.239 19751 577 1 . 1 1 118 118 VAL C C 118 173.553 173.553 174.156 -0.603 19751 578 1 . 1 1 118 118 VAL CA C 118 58.505 58.505 59.099 -0.594 19751 579 1 . 1 1 118 118 VAL CB C 118 35.089 35.089 35.364 -0.275 19751 580 1 . 1 1 118 118 VAL H H 118 7.811 7.811 7.905 -0.094 19751 581 1 . 1 1 119 119 GLN N N 119 124.298 124.298 120.400 3.898 19751 582 1 . 1 1 119 119 GLN HA H 119 4.653 4.653 4.682 -0.029 19751 583 1 . 1 1 119 119 GLN C C 119 174.263 174.263 174.299 -0.036 19751 584 1 . 1 1 119 119 GLN CA C 119 54.243 54.243 54.161 0.082 19751 585 1 . 1 1 119 119 GLN CB C 119 32.526 32.526 32.592 -0.066 19751 586 1 . 1 1 119 119 GLN H H 119 8.746 8.746 8.273 0.473 19751 587 1 . 1 1 120 120 ILE N N 120 122.997 122.997 126.717 -3.720 19751 588 1 . 1 1 120 120 ILE HA H 120 4.448 4.448 4.238 0.210 19751 589 1 . 1 1 120 120 ILE C C 120 175.616 175.616 175.872 -0.256 19751 590 1 . 1 1 120 120 ILE CA C 120 60.957 60.957 60.055 0.902 19751 591 1 . 1 1 120 120 ILE CB C 120 39.930 39.930 36.154 3.776 19751 592 1 . 1 1 120 120 ILE H H 120 8.670 8.670 8.626 0.044 19751 593 1 . 1 1 121 121 GLU N N 121 128.460 128.460 128.091 0.369 19751 594 1 . 1 1 121 121 GLU HA H 121 4.495 4.495 4.575 -0.080 19751 595 1 . 1 1 121 121 GLU C C 121 175.490 175.490 174.531 0.959 19751 596 1 . 1 1 121 121 GLU CA C 121 55.649 55.649 54.560 1.089 19751 597 1 . 1 1 121 121 GLU CB C 121 31.190 31.190 32.836 -1.646 19751 598 1 . 1 1 121 121 GLU H H 121 8.641 8.641 8.327 0.314 19751 599 1 . 1 1 122 122 LEU N N 122 126.756 126.756 120.338 6.418 19751 600 1 . 1 1 122 122 LEU HA H 122 4.579 4.579 4.672 -0.092 19751 601 1 . 1 1 122 122 LEU C C 122 177.291 177.291 176.359 0.932 19751 602 1 . 1 1 122 122 LEU CA C 122 54.512 54.512 53.662 0.850 19751 603 1 . 1 1 122 122 LEU CB C 122 42.422 42.422 44.609 -2.187 19751 604 1 . 1 1 122 122 LEU H H 122 8.642 8.642 8.435 0.207 19751 605 1 . 1 1 123 123 SER N N 123 117.273 117.273 116.085 1.188 19751 606 1 . 1 1 123 123 SER HA H 123 4.430 4.430 4.604 -0.174 19751 607 1 . 1 1 123 123 SER C C 123 175.066 175.066 174.510 0.556 19751 608 1 . 1 1 123 123 SER CA C 123 58.499 58.499 58.011 0.488 19751 609 1 . 1 1 123 123 SER CB C 123 63.946 63.946 63.100 0.846 19751 610 1 . 1 1 123 123 SER H H 123 8.496 8.496 8.788 -0.292 19751 611 1 . 1 1 124 124 GLY N N 124 111.280 111.280 108.659 2.621 19751 612 1 . 1 1 124 124 GLY C C 124 174.099 174.099 173.881 0.218 19751 613 1 . 1 1 124 124 GLY CA C 124 45.379 45.379 45.719 -0.340 19751 614 1 . 1 1 124 124 GLY H H 124 8.566 8.566 8.083 0.483 19751 615 1 . 1 1 125 125 ALA N N 125 123.586 123.586 123.314 0.272 19751 616 1 . 1 1 125 125 ALA HA H 125 4.307 4.307 4.497 -0.190 19751 617 1 . 1 1 125 125 ALA C C 125 177.915 177.915 177.312 0.603 19751 618 1 . 1 1 125 125 ALA CA C 125 52.617 52.617 52.646 -0.030 19751 619 1 . 1 1 125 125 ALA CB C 125 19.308 19.308 18.561 0.747 19751 620 1 . 1 1 125 125 ALA H H 125 8.158 8.158 8.232 -0.074 19751 621 1 . 1 1 126 126 GLU N N 126 120.076 120.076 119.207 0.869 19751 622 1 . 1 1 126 126 GLU HA H 126 4.351 4.351 4.470 -0.119 19751 623 1 . 1 1 126 126 GLU C C 126 176.544 176.544 175.558 0.986 19751 624 1 . 1 1 126 126 GLU CA C 126 56.883 56.883 55.578 1.305 19751 625 1 . 1 1 126 126 GLU CB C 126 30.610 30.610 30.692 -0.082 19751 626 1 . 1 1 126 126 GLU H H 126 8.524 8.524 8.037 0.487 19751 627 1 . 1 1 127 127 GLN N N 127 121.453 121.453 119.591 1.862 19751 628 1 . 1 1 127 127 GLN HA H 127 4.307 4.307 4.497 -0.190 19751 629 1 . 1 1 127 127 GLN C C 127 175.691 175.691 175.265 0.425 19751 630 1 . 1 1 127 127 GLN CA C 127 55.580 55.580 55.451 0.129 19751 631 1 . 1 1 127 127 GLN CB C 127 29.703 29.703 29.880 -0.177 19751 632 1 . 1 1 127 127 GLN H H 127 8.356 8.356 8.387 -0.031 19751 633 1 . 1 1 128 128 GLN N N 128 122.570 122.570 121.433 1.137 19751 634 1 . 1 1 128 128 GLN HA H 128 4.585 4.585 4.649 -0.064 19751 635 1 . 1 1 128 128 GLN CA C 128 53.744 53.744 54.000 -0.256 19751 636 1 . 1 1 128 128 GLN CB C 128 28.864 28.864 29.130 -0.266 19751 637 1 . 1 1 128 128 GLN H H 128 8.348 8.348 8.473 -0.125 19751 638 1 . 1 1 129 129 PRO HA H 129 4.401 4.401 4.536 -0.135 19751 639 1 . 1 1 129 129 PRO C C 129 175.988 175.988 177.055 -1.067 19751 640 1 . 1 1 129 129 PRO CA C 129 63.449 63.449 62.600 0.849 19751 641 1 . 1 1 129 129 PRO CB C 129 31.957 31.957 32.379 -0.422 19751 stop_ save_